Basic information
- CAS
56633-75-1- Standard SMILES
O=C(O)C[C@@H]1CCCN1- InChIKey
ADSALMJPJUKESW-YFKPBYRVSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Overview
(S)-2-(Pyrrolidin-2-yl)acetic acid is a member of pyrrolidines.
Names & identifiers
- Preferred name
- Homoproline, (+)-
- IUPAC
- 2-[(2S)-pyrrolidin-2-yl]acetic acid
- English name
- (S)-2-(2-Pyrrolidinyl)acetic acid
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
56633-75-1(S)-homoproline2-PYRROLIDINEACETIC ACID, (2S)-Homoproline, (S)-L-(+)-HomoprolineHomoproline, (+)-(S)-2-Pyrrolidineacetic acidAM5OTN525HALPHA-L-HOMOPROLINERefChem:1086714(S)-2-(Pyrrolidin-2-yl)acetic acid2-[(2S)-pyrrolidin-2-yl]acetic acid
Show more names
L-BETA-HOMOPROLINEH-BETA-HOPRO-OHL-β-HomoprolineH-β-HoPro-OH.HClH-b-HoPro-OH·HCl'L-B-HOMOPROLINE'H-beta-HPro-OH HClL-β-HoMoproline.HCl
(S)-2-(2-PYRROLIDINYL)ACETIC ACID(S)-PYRROLIDIN-2-YL-ACETIC ACIDMFCD01863750Avanafil Impurity 41CHEMBL1164855H-beta-HoPro-OH.HCl(+)-homoprolinebeta3-proline
Database identifiers
- CAS
56633-75-1- PubChem CID
- 2761541
- DTXSID
DTXSID301347434- ChEMBL
CHEMBL1164855- ChEBI
CHEBI:182597- UNII
- AM5OTN525H
- Nikkaji
- J1.216.158A
Properties
Computed structural properties
- XLogP
- -2.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Melting point
- 173 · 173-175 °C(Solv: acetone (67-64-1); ethyl ether (60-29-7); methanol (67-56-1))
- Boiling point
- 272.3 · 272.3±13.0 °C(Predicted)
- Density
- 1.104 · 1.104±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 4 · 4.00±0.10(Predicted)
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C6H11NO2/c8-6(9)4-5-2-1-3-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1
- InChIKey
- ADSALMJPJUKESW-YFKPBYRVSA-N
- SMILES
- N1CCC[C@H]1CC(O)=O
- FDA UNII
- 5 OTN525H · AM5OTN525H
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- F
- 3 · 3-10
Safety & regulation
Safety data
- F
- 3-10
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Applications
Uses(S)-2-Pyrrolidineacetic Acid is used as a starting material in the synthetic preparation of GABA uptake and transport inhibitors.
Suppliers62 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
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Accela ChemBio Inc.+1-858-6993322 +86-18019713315 · [email protected]
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Alchem Pharmtech,Inc.8485655694 · [email protected]
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上海梦蓝医药科技有限公司13062660007 · [email protected]
Additional notes
DefinitionChEBI: (S)-2-(Pyrrolidin-2-yl)acetic acid is a member of pyrrolidines.
Related reactions
1 records
Compound notes
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