cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

C17H23NO3 — CID 106321351

IUPACcis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-2-12-3-5-13(6-4-12)7-10-16(19)18-15-9-8-14(11-15)17(20)21/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyKBUMFRNWYAPRDQ-CABCVRRESA-N
MW289.38 g/mol
LogP2.55
Rot. Bonds6

About cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid

cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 106321351) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID106321351
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Namecis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESCCc1ccc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1
InChIInChI=1S/C17H23NO3/c1-2-12-3-5-13(6-4-12)7-10-16(19)18-15-9-8-14(11-15)17(20)21/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1
InChIKeyKBUMFRNWYAPRDQ-CABCVRRESA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 97318343
3-[3-(3-chloro-4-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 66032315
cis-(1S,3R)-3-[3-(4-bromo-3-methylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120676009
4-[3-(4-tert-butylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229878
4-[3-(4-ethylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120524617
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(4-ethylphenyl)propanamide;hydrochloride
CID 119457019
N-(4-methylcyclohexyl)-3-phenylpropanamide
CID 78786023
cis-(1R,3S)-3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 106320393
3-(hexanoylamino)cyclopentane-1-carboxylic acid
CID 66030150
3-[4-(dimethylamino)phenyl]-N-(3-methylcyclopentyl)propanamide
CID 114549618
3-[(4-ethylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 63043093

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 106321351) is cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is CCc1ccc(CCC(=O)N[C@H]2CC[C@@H](C(=O)O)C2)cc1.
What is the InChIKey of cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is KBUMFRNWYAPRDQ-CABCVRRESA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-12-3-5-13(6-4-12)7-10-16(19)18-15-9-8-14(11-15)17(20)21/h3-6,14-15H,2,7-11H2,1H3,(H,18,19)(H,20,21)/t14-,15+/m1/s1.
What are the key properties of cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid?
cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 106321351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).