cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid

C16H20ClNO4 — CID 120676512

IUPACcis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C16H20ClNO4/c1-2-7-22-14-6-4-11(17)9-13(14)15(19)18-12-5-3-10(8-12)16(20)21/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyGDLQQARCKQSVEB-CMPLNLGQSA-N
MW325.79 g/mol
LogP3.11
Rot. Bonds6

About cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 120676512) has the molecular formula C16H20ClNO4 and a molecular weight of 325.79 g/mol. Its IUPAC name is cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
PubChem CID120676512
Molecular FormulaC16H20ClNO4
Molecular Weight325.79 g/mol
Exact Mass325.11
IUPAC Namecis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
SMILESCCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C16H20ClNO4/c1-2-7-22-14-6-4-11(17)9-13(14)15(19)18-12-5-3-10(8-12)16(20)21/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1
InChIKeyGDLQQARCKQSVEB-CMPLNLGQSA-N
XLogP3.11
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.79
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)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

5-chloro-N-piperidin-3-yl-2-propoxybenzamide;hydrochloride
CID 119424718
cis-(1R,3S)-3-[(5-chloro-2-fluorobenzoyl)amino]cyclopentane-1-carboxylic acid
CID 106321337
5-chloro-2-(2-methoxyethoxy)-N-(2-methylpiperidin-4-yl)benzamide
CID 120600434
3-[(4-chloro-2-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66031335
3-[(4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032521
cis-(1S,3R)-3-[(2-ethoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677160
cis-(1S,3R)-3-[(3-chloro-5-ethoxy-4-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120675561
5-chloro-2-propoxybenzoyl chloride
CID 12863236
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66030116
(5-chloro-2-propoxyphenyl)-piperidin-4-ylmethanone
CID 82550103
4-[(5-chloro-2-propoxybenzoyl)amino]butanoic acid
CID 119170646
(3S)-1-(5-chloro-2-propoxybenzoyl)piperidine-3-carboxylic acid
CID 119173685

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid (CID 120676512) is cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid is CCCOc1ccc(Cl)cc1C(=O)N[C@@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is GDLQQARCKQSVEB-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H20ClNO4/c1-2-7-22-14-6-4-11(17)9-13(14)15(19)18-12-5-3-10(8-12)16(20)21/h4,6,9-10,12H,2-3,5,7-8H2,1H3,(H,18,19)(H,20,21)/t10-,12+/m0/s1.
What are the key properties of cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 325.79 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-[(5-chloro-2-propoxybenzoyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120676512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).