1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

C16H20FNO3 — CID 119176556

IUPAC1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccc(F)c1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H20FNO3/c1-11(9-12-5-4-6-13(17)10-12)14(19)18-16(15(20)21)7-2-3-8-16/h4-6,10-11H,2-3,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyURYOBWNDWXUMGK-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.52
Rot. Bonds5

About 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid

1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119176556) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119176556
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(Cc1cccc(F)c1)C(=O)NC1(C(=O)O)CCCC1
InChIInChI=1S/C16H20FNO3/c1-11(9-12-5-4-6-13(17)10-12)14(19)18-16(15(20)21)7-2-3-8-16/h4-6,10-11H,2-3,7-9H2,1H3,(H,18,19)(H,20,21)
InChIKeyURYOBWNDWXUMGK-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 119350665
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
1-[[3-(2-fluorophenyl)-2-methylpropanoyl]amino]cyclohexane-1-carboxylic acid
CID 119168113
1-[2-(3-fluorophenoxy)propanoylamino]cyclobutane-1-carboxylic acid
CID 81158051
(2R)-2-[[(2R)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887788
(2R)-2-[[(2S)-3-(3-fluorophenyl)-2-methylpropanoyl]amino]propanoic acid
CID 124887779
(2S)-N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 124628719
N-(cyanomethyl)-3-(3-fluorophenyl)-2-methylpropanamide
CID 122156072
3-(3-fluorophenyl)-2-(2-hydroxypropanoylamino)propanoic acid
CID 176961732
2-[[(2R)-2-aminopropanoyl]amino]-3-(3-fluorophenyl)propanoic acid
CID 155171201
(2S)-2-(2-aminopropanoylamino)-3-(3-fluorophenyl)propanoic acid
CID 135362319
1-[1-(3-fluorophenyl)propan-2-yl]-4-methylpiperidine-4-carboxylic acid
CID 114834742

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid (CID 119176556) is 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is CC(Cc1cccc(F)c1)C(=O)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is URYOBWNDWXUMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-11(9-12-5-4-6-13(17)10-12)14(19)18-16(15(20)21)7-2-3-8-16/h4-6,10-11H,2-3,7-9H2,1H3,(H,18,19)(H,20,21).
What are the key properties of 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 293.34 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119176556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).