(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid

C11H10BrClFN3O4 — CID 107829611

IUPAC(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H10BrClFN3O4/c12-5-1-4(14)2-6(13)9(5)17-11(21)16-7(10(19)20)3-8(15)18/h1-2,7H,3H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t7-/m1/s1
InChIKeyUTRWHUMFOKFORA-SSDOTTSWSA-N
MW382.57 g/mol
LogP1.69
Rot. Bonds5

About (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid

(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid (PubChem CID 107829611) has the molecular formula C11H10BrClFN3O4 and a molecular weight of 382.57 g/mol. Its IUPAC name is (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
PubChem CID107829611
Molecular FormulaC11H10BrClFN3O4
Molecular Weight382.57 g/mol
Exact Mass380.95
IUPAC Name(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@@H](NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O
InChIInChI=1S/C11H10BrClFN3O4/c12-5-1-4(14)2-6(13)9(5)17-11(21)16-7(10(19)20)3-8(15)18/h1-2,7H,3H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t7-/m1/s1
InChIKeyUTRWHUMFOKFORA-SSDOTTSWSA-N
XLogP1.69
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.57
LogP ≤ 51.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-[(2-bromo-4,6-difluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 61195411
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-methylpentanoic acid
CID 107614541
(2S)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]hexanoic acid
CID 107614553
4-amino-2-[(2,6-dibromophenyl)carbamoylamino]-4-oxobutanoic acid
CID 107601699
2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 107614486
(2R)-4-amino-2-[(4-bromo-2,6-dimethylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825458
(2R)-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3,3-dimethylbutanoic acid
CID 107614557
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-cyclopropylpropanoic acid
CID 107614479
(2S)-3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107841613
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-3-methylbutanoic acid
CID 107614461
(2S)-4-amino-2-[(3,5-dichlorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 63716230
(2S)-4-amino-2-[(4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid
CID 30045195

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid (CID 107829611) is (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid is NC(=O)C[C@@H](NC(=O)Nc1c(Cl)cc(F)cc1Br)C(=O)O.
What is the InChIKey of (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid?
The InChIKey is UTRWHUMFOKFORA-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H10BrClFN3O4/c12-5-1-4(14)2-6(13)9(5)17-11(21)16-7(10(19)20)3-8(15)18/h1-2,7H,3H2,(H2,15,18)(H,19,20)(H2,16,17,21)/t7-/m1/s1.
What are the key properties of (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid?
(2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid has a molecular weight of 382.57 g/mol, XLogP of 1.69, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-[(2-bromo-6-chloro-4-fluorophenyl)carbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 107829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).