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

C13H14FNO4 — CID 80751083

IUPAC(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO4/c14-9-3-1-8(2-4-9)13(5-6-13)12(19)15-10(7-16)11(17)18/h1-4,10,16H,5-7H2,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyHRTWAZHXVJCIKP-SNVBAGLBSA-N
MW267.26 g/mol
LogP0.42
Rot. Bonds5

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

(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 80751083) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
PubChem CID80751083
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
SMILESO=C(O)[C@@H](CO)NC(=O)C1(c2ccc(F)cc2)CC1
InChIInChI=1S/C13H14FNO4/c14-9-3-1-8(2-4-9)13(5-6-13)12(19)15-10(7-16)11(17)18/h1-4,10,16H,5-7H2,(H,15,19)(H,17,18)/t10-/m1/s1
InChIKeyHRTWAZHXVJCIKP-SNVBAGLBSA-N
XLogP0.42
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
CID 107821490
(E)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]hex-4-enoic acid
CID 120693134
(2R)-3-hydroxy-2-[(4-phenylpiperidine-4-carbonyl)amino]propanoic acid
CID 80756050
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
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
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
bis[1-(4-fluorophenyl)cyclopropyl]methanone
CID 68859453
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]amino]pentanoic acid
CID 43630613
(2S)-4-hydroxy-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 107822481

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid (CID 80751083) is (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid is O=C(O)[C@@H](CO)NC(=O)C1(c2ccc(F)cc2)CC1.
What is the InChIKey of (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is HRTWAZHXVJCIKP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H14FNO4/c14-9-3-1-8(2-4-9)13(5-6-13)12(19)15-10(7-16)11(17)18/h1-4,10,16H,5-7H2,(H,15,19)(H,17,18)/t10-/m1/s1.
What are the key properties of (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid?
(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 267.26 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80751083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).