(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid

C13H17ClN2O2 — CID 51698188

IUPAC(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC[C@H](c1ccc(Cl)cc1)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-9(2-4-11)12(7-15)16-6-5-10(8-16)13(17)18/h1-4,10,12H,5-8,15H2,(H,17,18)/t10-,12+/m0/s1
InChIKeyXLMNZJVXHODAOE-CMPLNLGQSA-N
MW268.74 g/mol
LogP1.75
Rot. Bonds4

About (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid

(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid (PubChem CID 51698188) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
PubChem CID51698188
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
SMILESNC[C@H](c1ccc(Cl)cc1)N1CC[C@H](C(=O)O)C1
InChIInChI=1S/C13H17ClN2O2/c14-11-3-1-9(2-4-11)12(7-15)16-6-5-10(8-16)13(17)18/h1-4,10,12H,5-8,15H2,(H,17,18)/t10-,12+/m0/s1
InChIKeyXLMNZJVXHODAOE-CMPLNLGQSA-N
XLogP1.75
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic 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

1-[2-amino-1-(4-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890902
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916
(3R)-1-[(1S)-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124677629
2-(4-chlorophenyl)-2-pyrrolidin-1-ylethanamine;oxalic acid
CID 45075211
(3R)-1-[(1R)-2-amino-1-(3,4-dimethoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124747076
2-(4-chlorophenyl)-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanamine
CID 63171544
(3R)-1-[(1R)-2-amino-1-(2-aminophenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 124784509
1-[2-amino-1-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 114081770
1-[bis(4-chlorophenyl)methyl]piperidine-3-carboxylic acid
CID 4588765
[1-[2-amino-1-(4-chlorophenyl)ethyl]piperidin-3-yl]methanol
CID 55014997
1-[2-amino-1-(2-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890915
1-(2-amino-1-phenylethyl)piperidine-3-carboxamide
CID 55017302

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid (CID 51698188) is (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid is NC[C@H](c1ccc(Cl)cc1)N1CC[C@H](C(=O)O)C1.
What is the InChIKey of (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is XLMNZJVXHODAOE-CMPLNLGQSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-11-3-1-9(2-4-11)12(7-15)16-6-5-10(8-16)13(17)18/h1-4,10,12H,5-8,15H2,(H,17,18)/t10-,12+/m0/s1.
What are the key properties of (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid?
(3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 268.74 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1S)-2-amino-1-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51698188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).