trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

C13H14ClNO3 — CID 97318284

IUPACtrans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@@H](C(=O)O)C1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18)/t8-,9-/m1/s1
InChIKeyZFXKUWWQAVPYDK-RKDXNWHRSA-N
MW267.71 g/mol
LogP2.32
Rot. Bonds3

About trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid

trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 97318284) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID97318284
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Nametrans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESO=C(N[C@@H]1CC[C@@H](C(=O)O)C1)c1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18)/t8-,9-/m1/s1
InChIKeyZFXKUWWQAVPYDK-RKDXNWHRSA-N
XLogP2.32
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-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

3-[(3-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 81267596
3-[(2-aminobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032352
cis-(1S,3R)-3-[(4-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675321
cis-(1S,3R)-3-[(3-bromo-2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120676317
cis-(1S,3R)-3-[[2-[(2-chlorobenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120674933
2-chloro-N-(3-formylcyclopentyl)benzamide
CID 174874670
2-chloro-N-cyclopentylbenzamide
CID 669043
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
3-[(2-hydroxy-3-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032729
cis-(1S,3R)-3-[[2-(methoxymethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120676087
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160

Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid (CID 97318284) is trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is O=C(N[C@@H]1CC[C@@H](C(=O)O)C1)c1ccccc1Cl.
What is the InChIKey of trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is ZFXKUWWQAVPYDK-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)12(16)15-9-6-5-8(7-9)13(17)18/h1-4,8-9H,5-7H2,(H,15,16)(H,17,18)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid?
trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 267.71 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-3-[(2-chlorobenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).