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

C14H15FN2O4 — CID 107821490

IUPAC(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O
InChIInChI=1S/C14H15FN2O4/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)17-10(12(19)20)7-11(16)18/h1-4,10H,5-7H2,(H2,16,18)(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyRTLDJPVHDVONOH-SNVBAGLBSA-N
MW294.28 g/mol
LogP0.30
Rot. Bonds6

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

(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid (PubChem CID 107821490) has the molecular formula C14H15FN2O4 and a molecular weight of 294.28 g/mol. Its IUPAC name is (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
PubChem CID107821490
Molecular FormulaC14H15FN2O4
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC Name(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O
InChIInChI=1S/C14H15FN2O4/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)17-10(12(19)20)7-11(16)18/h1-4,10H,5-7H2,(H2,16,18)(H,17,21)(H,19,20)/t10-/m1/s1
InChIKeyRTLDJPVHDVONOH-SNVBAGLBSA-N
XLogP0.30
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

(2R)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3-hydroxypropanoic acid
CID 80751083
(2S)-4-amino-4-oxo-2-[(1-phenylcyclobutanecarbonyl)amino]butanoic acid
CID 63715050
2-[[1-(4-fluorophenyl)cyclopentanecarbonyl]amino]-3-hydroxypropanoic acid
CID 138031119
(E)-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]hex-4-enoic acid
CID 120693134
(2S)-4-amino-2-[(4-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63715060
2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-3,3-dimethylbutanoic acid
CID 43467516
(2S)-4-amino-2-[(4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 30045195
(2S)-2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]-4-hydroxybutanoic acid
CID 107824796
1-(4-fluorophenyl)-N-(1-hydroxy-3-methylbutan-2-yl)cyclopropane-1-carboxamide
CID 79252560
2-[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]pent-4-ynoic acid
CID 115913879
N-(2-amino-2-oxoethyl)-1-(4-fluorophenyl)cyclobutane-1-carboxamide
CID 110473843
(2S)-4-hydroxy-2-[(1-phenylcyclopropanecarbonyl)amino]butanoic acid
CID 107822179

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid (CID 107821490) is (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)C1(c2ccc(F)cc2)CC1)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid?
The InChIKey is RTLDJPVHDVONOH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15FN2O4/c15-9-3-1-8(2-4-9)14(5-6-14)13(21)17-10(12(19)20)7-11(16)18/h1-4,10H,5-7H2,(H2,16,18)(H,17,21)(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid?
(2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid has a molecular weight of 294.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 107821490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).