Basic information
- CAS
18800-83-4- Standard SMILES
COC(=O)C1CCCN1C(C)=O- InChIKey
WCIXKWOJEMZXMK-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- Methyl 1-acetylpyrrolidine-2-carboxylate
- IUPAC
- methyl 1-acetylpyrrolidine-2-carboxylate
- English name
- 1-Acetyl-pyrrolidine-2-carboxylic acid Methyl ester
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
methyl 1-acetylpyrrolidine-2-carboxylate18800-83-41-Acetyl-pyrrolidine-2-carboxylic acid methyl esterAcetyl-L-proline methyl esterL-Proline, 1-acetyl-, methyl esterMFCD12144256DL-Proline, 1-acetyl-, methyl esterMethyl acetylprolinate(R)-Methyl 1-acetylpyrrolidine-2-carboxylateMethyl 1-acetylprolinatemethyl n-acetyl-dl-prolinateSCHEMBL468719
Show more names
SCHEMBL17966421SCHEMBL17966453DTXSID50338764WCIXKWOJEMZXMK-UHFFFAOYSA-NProline, 1-acetyl-, methyl esterTAA80083Methyl (.+/-.)-N-acetylprolinateAKOS008972476
Database identifiers
- CAS
18800-83-4- Nikkaji
- J2.197.979A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 202
Physicochemical properties
- Melting point
- 128 · 128-128.5 °C
- Boiling point
- 281.2 · 281.2±33.0 °C(Predicted)
- Density
- 1.151 · 1.151±0.06 g/cm3(Predicted)
- pka
- -2.48 · -2.48±0.40(Predicted)
Chemistry & industry
Suppliers6 total
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
吉尔生化（玉门）有限公司18221406464 18221406464;13236395639 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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