(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid

C15H18FNO3 — CID 129446041

IUPAC(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-2-3-13(15(19)20)17-14(18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-13H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13-/m0/s1
InChIKeyJGTRZNHAEQFMIO-XQQFMLRXSA-N
MW279.31 g/mol
LogP2.30
Rot. Bonds6

About (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid

(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid (PubChem CID 129446041) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
PubChem CID129446041
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
SMILESCCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)O
InChIInChI=1S/C15H18FNO3/c1-2-3-13(15(19)20)17-14(18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-13H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13-/m0/s1
InChIKeyJGTRZNHAEQFMIO-XQQFMLRXSA-N
XLogP2.30
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid with MolForge

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Related Compounds

(2S)-2-[(2-phenylcyclopropanecarbonyl)amino]hexanoic acid
CID 107144642
2-[[2-(4-fluorophenyl)cyclobutanecarbonyl]amino]butanedioic acid
CID 155964479
(2R)-4-hydroxy-2-[(2-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107823606
2-[[2-(4-fluorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]hexanoic acid
CID 120537896
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2-(4-methoxyphenyl)acetic acid
CID 129469534
(2R)-2-[[2-(3,4-difluorophenyl)cyclopropanecarbonyl]amino]-3-phenylpropanoic acid
CID 119367456
4-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-5-phenylpentanoic acid
CID 120547279
(1R)-N-[(2S)-1-amino-1-oxobutan-2-yl]-2-phenylcyclopropane-1-carboxamide
CID 58155377
(2S)-2-[[2-[2-(trifluoromethoxy)phenyl]cyclopropanecarbonyl]amino]hexanoic acid
CID 120615374
2-[(3-methylcyclobutanecarbonyl)amino]pentanoic acid
CID 115923946
3-[[2-(4-fluorophenyl)cyclopropanecarbonyl]amino]-2,2-dimethylpropanoic acid
CID 119249836
(2R)-2-[3-(4-fluorophenyl)propanoylamino]pentanoic acid
CID 93252359

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The IUPAC name of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid (CID 129446041) is (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid.
What is the SMILES notation for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The canonical SMILES for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid is CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
The InChIKey is JGTRZNHAEQFMIO-XQQFMLRXSA-N. The full InChI is InChI=1S/C15H18FNO3/c1-2-3-13(15(19)20)17-14(18)12-8-11(12)9-4-6-10(16)7-5-9/h4-7,11-13H,2-3,8H2,1H3,(H,17,18)(H,19,20)/t11-,12+,13-/m0/s1.
What are the key properties of (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid?
(2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid has a molecular weight of 279.31 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(1R,2R)-2-(4-fluorophenyl)cyclopropanecarbonyl]amino]pentanoic acid is sourced from PubChem (CID 129446041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).