(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

C11H12BrClN2O4 — CID 114005382

IUPAC(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1ccc(Br)cc1Cl)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-6-1-2-8(7(13)5-6)14-11(19)15-9(3-4-16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyFMULHEZWWIZGBM-SECBINFHSA-N
MW351.58 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 114005382) has the molecular formula C11H12BrClN2O4 and a molecular weight of 351.58 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID114005382
Molecular FormulaC11H12BrClN2O4
Molecular Weight351.58 g/mol
Exact Mass349.97
IUPAC Name(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1ccc(Br)cc1Cl)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-6-1-2-8(7(13)5-6)14-11(19)15-9(3-4-16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19)/t9-/m1/s1
InChIKeyFMULHEZWWIZGBM-SECBINFHSA-N
XLogP2.06
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.58
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromo-2-chlorophenyl)carbamoylamino]butanoic acid
CID 61195408
2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62480249
(2S)-2-[(4-bromo-2,6-dichlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825780
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442
1-(4-bromo-2-chlorophenyl)-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111473299
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828516
(2S)-2-[(4-bromophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107825877
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915
2-[(5-bromo-2-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244022
(2S)-2-[(5-bromo-2-chlorophenyl)carbamoylamino]hexanoic acid
CID 107146033
(2R)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80756077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (CID 114005382) is (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is O=C(Nc1ccc(Br)cc1Cl)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is FMULHEZWWIZGBM-SECBINFHSA-N. The full InChI is InChI=1S/C11H12BrClN2O4/c12-6-1-2-8(7(13)5-6)14-11(19)15-9(3-4-16)10(17)18/h1-2,5,9,16H,3-4H2,(H,17,18)(H2,14,15,19)/t9-/m1/s1.
What are the key properties of (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 351.58 g/mol, XLogP of 2.06, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 114005382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).