(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

C11H12BrClN2O4 — CID 107828516

IUPAC(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1cc(Cl)ccc1Br)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-7-2-1-6(13)5-9(7)15-11(19)14-8(3-4-16)10(17)18/h1-2,5,8,16H,3-4H2,(H,17,18)(H2,14,15,19)/t8-/m1/s1
InChIKeyAKECCIZWHUAPKP-MRVPVSSYSA-N
MW351.58 g/mol
LogP2.06
Rot. Bonds5

About (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid

(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 107828516) has the molecular formula C11H12BrClN2O4 and a molecular weight of 351.58 g/mol. Its IUPAC name is (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID107828516
Molecular FormulaC11H12BrClN2O4
Molecular Weight351.58 g/mol
Exact Mass349.97
IUPAC Name(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESO=C(Nc1cc(Cl)ccc1Br)N[C@H](CCO)C(=O)O
InChIInChI=1S/C11H12BrClN2O4/c12-7-2-1-6(13)5-9(7)15-11(19)14-8(3-4-16)10(17)18/h1-2,5,8,16H,3-4H2,(H,17,18)(H2,14,15,19)/t8-/m1/s1
InChIKeyAKECCIZWHUAPKP-MRVPVSSYSA-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-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 61243704
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915
(2R)-2-[(4-bromo-2-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005382
2-[(2-bromo-3-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 103480767
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
(2S)-2-[(2,5-dibromophenyl)carbamoylamino]pentanoic acid
CID 107566463
2-[(5-chloro-2-fluorophenyl)carbamoylamino]pentanedioic acid
CID 61197126
(2S)-3-[(2-bromo-5-chlorophenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 107840607
(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
2-[(2-bromo-5-methylphenyl)carbamoylamino]pentanedioic acid
CID 82747545
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid (CID 107828516) is (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is O=C(Nc1cc(Cl)ccc1Br)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is AKECCIZWHUAPKP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12BrClN2O4/c12-7-2-1-6(13)5-9(7)15-11(19)14-8(3-4-16)10(17)18/h1-2,5,8,16H,3-4H2,(H,17,18)(H2,14,15,19)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid?
(2R)-2-[(2-bromo-5-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-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 107828516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).