cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid

C17H23NO4 — CID 120678903

IUPACcis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(OCCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO4/c1-11-3-4-12(2)15(9-11)22-8-7-16(19)18-14-6-5-13(10-14)17(20)21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1
InChIKeyJCCVBIYBNSJRKR-KGLIPLIRSA-N
MW305.37 g/mol
LogP2.44
Rot. Bonds6

About cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 120678903) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID120678903
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Namecis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCc1ccc(C)c(OCCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1
InChIInChI=1S/C17H23NO4/c1-11-3-4-12(2)15(9-11)22-8-7-16(19)18-14-6-5-13(10-14)17(20)21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1
InChIKeyJCCVBIYBNSJRKR-KGLIPLIRSA-N
XLogP2.44
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]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

cis-(1S,3R)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676845
3-[3-(3-methylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 66033106
3-[2-(2,5-dimethylphenoxy)ethylamino]cyclohexane-1-carboxylic acid
CID 63043519
3-[[2-(2-chloro-5-methylphenoxy)acetyl]amino]cyclopentane-1-carboxylic acid
CID 66032110
N-cyclopropyl-3-(2-fluoro-5-methylphenoxy)propanamide
CID 64853538
N-cyclopropyl-2-(2,5-dimethylphenoxy)acetamide
CID 4113350
1-[3-(2,5-dimethylphenoxy)propanoyl]piperidine-4-carboxylic acid
CID 45426975
3-(2,5-dimethylphenoxy)-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 71893149
cis-(1S,3R)-3-[4-(2,4-difluorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120675535
N-cyano-3-(2,5-dimethylphenoxy)propanamide
CID 79194357
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
3-(2,5-dimethylphenoxy)-N-(2,5-dimethylphenyl)propanamide
CID 26909495

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid (CID 120678903) is cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid is Cc1ccc(C)c(OCCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)c1.
What is the InChIKey of cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is JCCVBIYBNSJRKR-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23NO4/c1-11-3-4-12(2)15(9-11)22-8-7-16(19)18-14-6-5-13(10-14)17(20)21/h3-4,9,13-14H,5-8,10H2,1-2H3,(H,18,19)(H,20,21)/t13-,14+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 305.37 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(2,5-dimethylphenoxy)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 120678903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).