2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid

C15H18FNO4 — CID 138031119

IUPAC2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)15(7-1-2-8-15)14(21)17-12(9-18)13(19)20/h3-6,12,18H,1-2,7-9H2,(H,17,21)(H,19,20)
InChIKeyMHEMCBKCXQZROR-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.20
Rot. Bonds5

About 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid

2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 138031119) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
PubChem CID138031119
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)C(CO)NC(=O)C1(c2ccc(F)cc2)CCCC1
InChIInChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)15(7-1-2-8-15)14(21)17-12(9-18)13(19)20/h3-6,12,18H,1-2,7-9H2,(H,17,21)(H,19,20)
InChIKeyMHEMCBKCXQZROR-UHFFFAOYSA-N
XLogP1.20
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
CID 107821490
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
(E)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]hex-4-enoic acid
CID 120693134
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
1-(4-fluorophenyl)-N-(1-methoxypropan-2-yl)cyclopentane-1-carboxamide
CID 46642602
N-(2-aminoethyl)-1-(4-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119384814
N-[(2S)-1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723092
2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516
N-[(2R)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 129478894
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid (CID 138031119) is 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid is O=C(O)C(CO)NC(=O)C1(c2ccc(F)cc2)CCCC1.
What is the InChIKey of 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is MHEMCBKCXQZROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c16-11-5-3-10(4-6-11)15(7-1-2-8-15)14(21)17-12(9-18)13(19)20/h3-6,12,18H,1-2,7-9H2,(H,17,21)(H,19,20).
What are the key properties of 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid?
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 295.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 138031119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).