1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

C17H22FNO3 — CID 119350665

IUPAC1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)NC1(C(=O)O)CCCC1)Cc1cccc(F)c1
InChIInChI=1S/C17H22FNO3/c1-12(9-13-5-4-6-14(18)11-13)10-15(20)19-17(16(21)22)7-2-3-8-17/h4-6,11-12H,2-3,7-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyYMCWKFXVHLTACB-UHFFFAOYSA-N
MW307.36 g/mol
LogP2.91
Rot. Bonds6

About 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid

1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (PubChem CID 119350665) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
PubChem CID119350665
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
SMILESCC(CC(=O)NC1(C(=O)O)CCCC1)Cc1cccc(F)c1
InChIInChI=1S/C17H22FNO3/c1-12(9-13-5-4-6-14(18)11-13)10-15(20)19-17(16(21)22)7-2-3-8-17/h4-6,11-12H,2-3,7-10H2,1H3,(H,19,20)(H,21,22)
InChIKeyYMCWKFXVHLTACB-UHFFFAOYSA-N
XLogP2.91
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[3-(3-fluorophenyl)-2-methylpropanoyl]amino]cyclopentane-1-carboxylic acid
CID 119176556
1-[[2-(3-fluorophenyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43329516
N-(1-cyanocyclopropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 71984204
1-[[4-(4-chlorophenyl)-3-methylbutanoyl]amino]cyclobutane-1-carboxylic acid
CID 120530949
3-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]butanoic acid
CID 119347966
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]acetic acid
CID 119350465
(3R)-N-[(3R)-3-cyanothiolan-3-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95906114
(3R)-N-[(2S)-1-amino-1-oxopropan-2-yl]-4-(3-fluorophenyl)-3-methylbutanamide
CID 95903648
N-(3-amino-2-methylpropyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119997569
N-[1-(3-fluorophenyl)propan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111538966
N-(3-aminobutyl)-4-(3-fluorophenyl)-3-methylbutanamide
CID 119499131
2-[[4-(3-fluorophenyl)-3-methylbutanoyl]-methylamino]propanoic acid
CID 119359285

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid (CID 119350665) is 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is CC(CC(=O)NC1(C(=O)O)CCCC1)Cc1cccc(F)c1.
What is the InChIKey of 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
The InChIKey is YMCWKFXVHLTACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-12(9-13-5-4-6-14(18)11-13)10-15(20)19-17(16(21)22)7-2-3-8-17/h4-6,11-12H,2-3,7-10H2,1H3,(H,19,20)(H,21,22).
What are the key properties of 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid?
1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3-fluorophenyl)-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 119350665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).