[(1-Benzyl-pyrrolidin-2-ylmethyl)-cyclopropyl-amino]-acetic acid
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Basic information
- CAS
1353987-36-6- Standard SMILES
O=C(O)CN(CC1CCCN1Cc1ccccc1)C1CC1- InChIKey
GUPGPRWNTRUAQX-UHFFFAOYSA-N- Molecular formula
- C17H24N2O2
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.18377801
Names & identifiers
- Preferred name
- [(1-Benzyl-pyrrolidin-2-ylmethyl)-cyclopropyl-amino]-acetic acid
- IUPAC
- 2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]acetic acid
- English name
- [(1-Benzyl-pyrrolidin-2-ylMethyl)-cyclopropyl-aMino]-acetic acid
- Molecular formula
- C17H24N2O2
- Molecular weight
- 288.38
Names & synonyms
1353987-36-6[(1-Benzyl-pyrrolidin-2-ylmethyl)-cyclopropyl-amino]-acetic acid2-(((1-Benzylpyrrolidin-2-yl)methyl)(cyclopropyl)amino)acetic acid2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]acetic acidDTXSID901163103DB-248335N-[(1-Benzylpyrrolidin-2-yl)methyl]-N-cyclopropylglycine2-(((1-Benzylpyrrolidin-2-yl)methyl)(cyclopropyl)amino)aceticacid2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropyl-amino]acetic acidGlycine, N-cyclopropyl-N-[[1-(phenylmethyl)-2-pyrrolidinyl]methyl]-
Database identifiers
- CAS
1353987-36-6- PubChem CID
- 66565010
- DTXSID
DTXSID901163103
Properties
Computed structural propertiesFilling in
- XLogP
- 0.2
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 351
Physicochemical properties
- Boiling point
- 438 · 438.0±25.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 2.35 · 2.35±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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