2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid

C16H22FNO3 — CID 65058595

IUPAC2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1ccc(C(C)N(CC(=O)O)C2CCCC2)cc1F
InChIInChI=1S/C16H22FNO3/c1-11(12-7-8-15(21-2)14(17)9-12)18(10-16(19)20)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyUOSKBTFITXOACS-UHFFFAOYSA-N
MW295.35 g/mol
LogP3.22
Rot. Bonds6

About 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid

2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 65058595) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID65058595
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Name2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1ccc(C(C)N(CC(=O)O)C2CCCC2)cc1F
InChIInChI=1S/C16H22FNO3/c1-11(12-7-8-15(21-2)14(17)9-12)18(10-16(19)20)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,20)
InChIKeyUOSKBTFITXOACS-UHFFFAOYSA-N
XLogP3.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic 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

2-[cyclopentyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058654
2-[cyclopropyl-[1-(2-fluoro-6-methoxyphenyl)ethyl]amino]acetic acid
CID 113389381
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
2-[[1-[3-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]azepan-4-yl]-methylamino]acetic acid
CID 122043501
3-[cyclopropyl-[1-(4-hydroxy-3-methoxyphenyl)ethyl]amino]propanoic acid
CID 65059099
2-[cyclopropyl-[1-[4-(dimethylamino)phenyl]ethyl]amino]acetic acid
CID 65058019
2-(cycloheptylamino)-2-(3-fluoro-4-methoxyphenyl)acetic acid
CID 65096305
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
N-cyclopentyl-N-ethyl-3-fluoro-4-methoxybenzamide
CID 86926983
1-cyclopentyl-3-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]urea
CID 38163692
2-[(1,1-dioxothiolan-3-yl)-methylamino]-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 47024784

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid (CID 65058595) is 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid is COc1ccc(C(C)N(CC(=O)O)C2CCCC2)cc1F.
What is the InChIKey of 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is UOSKBTFITXOACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-11(12-7-8-15(21-2)14(17)9-12)18(10-16(19)20)13-5-3-4-6-13/h7-9,11,13H,3-6,10H2,1-2H3,(H,19,20).
What are the key properties of 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid?
2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 295.35 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl-[1-(3-fluoro-4-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 65058595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).