2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid

C17H24N2O2 — CID 96552797

IUPAC2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C[C@H]1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-19(15-8-9-15)12-16-7-4-10-18(16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGUPGPRWNTRUAQX-MRXNPFEDSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds7

About 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid

2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid (PubChem CID 96552797) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
PubChem CID96552797
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(C[C@H]1CCCN1Cc1ccccc1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-19(15-8-9-15)12-16-7-4-10-18(16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,21)/t16-/m1/s1
InChIKeyGUPGPRWNTRUAQX-MRXNPFEDSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-benzylpyrrolidin-2-yl)methyl-cyclopropylamino]ethanol
CID 66565065
2-[[(2S)-1-benzylpyrrolidin-2-yl]methyl-ethylamino]acetic acid
CID 66564991
N-[(1-benzylpyrrolidin-2-yl)methyl]-N-methylcarbamoyl chloride
CID 82379734
(2S)-2-amino-N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-N-cyclopropylpropanamide
CID 96553072
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
CID 66565012
tert-butyl N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 22856184
2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-methylpropanamide
CID 121226071
N-[[(2R)-1-benzylpyrrolidin-2-yl]methyl]-2-chloro-N-propan-2-ylacetamide
CID 96552886
2-(1-benzylpyrrolidin-2-yl)-1-phenylethanone
CID 122375252
(2S)-2-amino-N-[[(2S)-1-benzylpyrrolidin-2-yl]methyl]-N-ethylpropanamide
CID 66565271
1-benzyl-2-(nitromethyl)pyrrolidine
CID 25198322
[(2S)-1-benzylpyrrolidin-2-yl]methanamine;hydrochloride
CID 22856183

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid (CID 96552797) is 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid is O=C(O)CN(C[C@H]1CCCN1Cc1ccccc1)C1CC1.
What is the InChIKey of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid?
The InChIKey is GUPGPRWNTRUAQX-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21)13-19(15-8-9-15)12-16-7-4-10-18(16)11-14-5-2-1-3-6-14/h1-3,5-6,15-16H,4,7-13H2,(H,20,21)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid?
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 96552797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).