trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

C15H18FNO3 — CID 97318343

IUPACtrans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c16-12-5-1-10(2-6-12)3-8-14(18)17-13-7-4-11(9-13)15(19)20/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,18)(H,19,20)/t11-,13-/m0/s1
InChIKeySJELGZQUHAMFSO-AAEUAGOBSA-N
MW279.31 g/mol
LogP2.13
Rot. Bonds5

About trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid

trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (PubChem CID 97318343) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
PubChem CID97318343
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Nametrans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(CCc1ccc(F)cc1)N[C@H]1CC[C@H](C(=O)O)C1
InChIInChI=1S/C15H18FNO3/c16-12-5-1-10(2-6-12)3-8-14(18)17-13-7-4-11(9-13)15(19)20/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,18)(H,19,20)/t11-,13-/m0/s1
InChIKeySJELGZQUHAMFSO-AAEUAGOBSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,3S)-3-[3-(4-fluorophenyl)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-(1R,3S)-3-[3-(4-ethylphenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 106321351
3-(4-fluorophenyl)-N-(4-hydroxycyclohexyl)propanamide
CID 43392085
cis-(1S,3R)-3-(3-thiophen-3-ylpropanoylamino)cyclopentane-1-carboxylic acid
CID 120676488
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
cis-(1R,3S)-3-[3-(2,3-difluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678802
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
4-[3-(4-ethylsulfonylphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 120524617
cis-(1R,3S)-3-[3-(5-phenyl-1H-pyrrol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678122
cis-(1S,3R)-3-[4-(2,4-difluorophenoxy)butanoylamino]cyclopentane-1-carboxylic acid
CID 120675535
4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119229751

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid (CID 97318343) is trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is O=C(CCc1ccc(F)cc1)N[C@H]1CC[C@H](C(=O)O)C1.
What is the InChIKey of trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is SJELGZQUHAMFSO-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H18FNO3/c16-12-5-1-10(2-6-12)3-8-14(18)17-13-7-4-11(9-13)15(19)20/h1-2,5-6,11,13H,3-4,7-9H2,(H,17,18)(H,19,20)/t11-,13-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid?
trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 279.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[3-(4-fluorophenyl)propanoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 97318343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).