2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid

C17H24N2O2 — CID 66565012

IUPAC2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CC1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-19(16-6-7-16)12-15-8-9-18(11-15)10-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,21)
InChIKeyNSEGXCOUTCRDLP-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.06
Rot. Bonds7

About 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid

2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid (PubChem CID 66565012) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid.

Molecular Properties

Compound Name2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
PubChem CID66565012
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid
SMILESO=C(O)CN(CC1CCN(Cc2ccccc2)C1)C1CC1
InChIInChI=1S/C17H24N2O2/c20-17(21)13-19(16-6-7-16)12-15-8-9-18(11-15)10-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,21)
InChIKeyNSEGXCOUTCRDLP-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N'-cyclopropylethane-1,2-diamine
CID 96552859
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-cyclopropylamino]ethanol
CID 96552834
2-[[(2R)-1-benzylpyrrolidin-2-yl]methyl-cyclopropylamino]acetic acid
CID 96552797
2-[[(3R)-1-benzylpiperidin-3-yl]methyl-propan-2-ylamino]acetic acid
CID 96552793
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]-2-chloro-N-cyclopropylacetamide
CID 96553005
2-[[3-[(1-benzylpyrrolidin-3-yl)methylcarbamoylamino]cyclobutyl]-ethylamino]acetic acid
CID 122012449
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
tert-butyl N-[[(3S)-1-benzylpyrrolidin-3-yl]methyl]-N-methylcarbamate
CID 86339983
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N,2-dimethylpropanamide;dihydrochloride
CID 119884933
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-methylbenzamide
CID 119947198
2-amino-N-[(1-benzylpyrrolidin-3-yl)methyl]-N-ethylpropanamide
CID 77143822

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid?
The IUPAC name of 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid (CID 66565012) is 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid.
What is the SMILES notation for 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid?
The canonical SMILES for 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid is O=C(O)CN(CC1CCN(Cc2ccccc2)C1)C1CC1.
What is the InChIKey of 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid?
The InChIKey is NSEGXCOUTCRDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-17(21)13-19(16-6-7-16)12-15-8-9-18(11-15)10-14-4-2-1-3-5-14/h1-5,15-16H,6-13H2,(H,20,21).
What are the key properties of 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid?
2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid has a molecular weight of 288.39 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpyrrolidin-3-yl)methyl-cyclopropylamino]acetic acid is sourced from PubChem (CID 66565012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).