2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide

C13H18ClN3O — CID 54551711

IUPAC2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-10(2-4-11)8-17-6-5-12(9-17)16-13(18)7-15/h1-4,12H,5-9,15H2,(H,16,18)/t12-/m0/s1
InChIKeyZKJBSJXAGJYTNB-LBPRGKRZSA-N
MW267.76 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide

2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide (PubChem CID 54551711) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
PubChem CID54551711
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide
SMILESNCC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H18ClN3O/c14-11-3-1-10(2-4-11)8-17-6-5-12(9-17)16-13(18)7-15/h1-4,12H,5-9,15H2,(H,16,18)/t12-/m0/s1
InChIKeyZKJBSJXAGJYTNB-LBPRGKRZSA-N
XLogP0.99
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide 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

2-amino-N-[(3R)-1-benzylpyrrolidin-3-yl]acetamide
CID 93027730
[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamic acid
CID 155341898
tert-butyl N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]carbamate
CID 18426224
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(4-hydroxyphenyl)acetamide
CID 78822391
2-amino-N-[1-[2-(4-chlorophenoxy)ethyl]piperidin-4-yl]acetamide
CID 119891153
N-[(3R)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 51636347
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 24791479
N-[2-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3,5-bis(trifluoromethyl)benzamide
CID 86757903
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 8816232

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide (CID 54551711) is 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide is NCC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide?
The InChIKey is ZKJBSJXAGJYTNB-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18ClN3O/c14-11-3-1-10(2-4-11)8-17-6-5-12(9-17)16-13(18)7-15/h1-4,12H,5-9,15H2,(H,16,18)/t12-/m0/s1.
What are the key properties of 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide?
2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide has a molecular weight of 267.76 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 54551711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).