(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid

C14H19BrN2O3 — CID 107576251

IUPAC(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-4-5-11(13(18)19)17-14(20)16-10-6-8(2)12(15)9(3)7-10/h6-7,11H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyHZCJXSVTCKOYGH-LLVKDONJSA-N
MW343.22 g/mol
LogP3.44
Rot. Bonds5

About (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid

(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid (PubChem CID 107576251) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid
PubChem CID107576251
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid
SMILESCCC[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)O
InChIInChI=1S/C14H19BrN2O3/c1-4-5-11(13(18)19)17-14(20)16-10-6-8(2)12(15)9(3)7-10/h6-7,11H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1
InChIKeyHZCJXSVTCKOYGH-LLVKDONJSA-N
XLogP3.44
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-[(3-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107566984
(2S)-2-[(3,4,5-trifluorophenyl)carbamoylamino]pentanoic acid
CID 107566862
2-[(3-bromophenyl)carbamoylamino]pentanoic acid
CID 61191177
(2S)-2-[(3-acetamidophenyl)carbamoylamino]pentanoic acid
CID 107566022
(2S)-2-[(2,5-difluoro-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107567837
(2R)-2-[(5-bromo-4-fluoro-2-methylphenyl)carbamoylamino]pentanoic acid
CID 107593172
2-[(4-bromo-3-methylphenyl)carbamoylamino]butanoic acid
CID 61182819
N-(4-bromo-3,5-dimethylphenyl)-2-propylpentanamide
CID 107575057
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
(2S)-2-[(3,5-dimethylphenyl)carbamoylamino]pentanedioic acid
CID 61191038
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
(2S)-2-[(4-methyl-3-nitrophenyl)carbamoylamino]pentanoic acid
CID 107566011

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The IUPAC name of (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid (CID 107576251) is (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid.
What is the SMILES notation for (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The canonical SMILES for (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid is CCC[C@@H](NC(=O)Nc1cc(C)c(Br)c(C)c1)C(=O)O.
What is the InChIKey of (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid?
The InChIKey is HZCJXSVTCKOYGH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-5-11(13(18)19)17-14(20)16-10-6-8(2)12(15)9(3)7-10/h6-7,11H,4-5H2,1-3H3,(H,18,19)(H2,16,17,20)/t11-/m1/s1.
What are the key properties of (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid?
(2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid has a molecular weight of 343.22 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-bromo-3,5-dimethylphenyl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 107576251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).