2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid

C12H15ClN2O4 — CID 61243704

IUPAC2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-7-2-3-8(13)6-10(7)15-12(19)14-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeySSBAJUQJSIABII-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.61
Rot. Bonds5

About 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid

2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid (PubChem CID 61243704) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
PubChem CID61243704
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
SMILESCc1ccc(Cl)cc1NC(=O)NC(CCO)C(=O)O
InChIInChI=1S/C12H15ClN2O4/c1-7-2-3-8(13)6-10(7)15-12(19)14-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19)
InChIKeySSBAJUQJSIABII-UHFFFAOYSA-N
XLogP1.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-methoxybutanoic acid
CID 62479537
(2S)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 114005442
(2R)-2-[(2-bromo-5-chlorophenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828516
2-[(5-chloro-2-methylphenyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084041
2-[(5-chloro-2-methylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 3810031
(2R)-2-[(5-chloro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107822930
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
(2R)-2-[(2-bromo-5-chloro-4-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828915
2-[(2,5-dimethylphenyl)carbamoylamino]pentanoic acid
CID 61199945
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
2-[(5-chloro-2-fluorophenyl)carbamoylamino]pentanedioic acid
CID 61197126
(2R)-2-[(2-bromo-3-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107828556

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid (CID 61243704) is 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid is Cc1ccc(Cl)cc1NC(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid?
The InChIKey is SSBAJUQJSIABII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7-2-3-8(13)6-10(7)15-12(19)14-9(4-5-16)11(17)18/h2-3,6,9,16H,4-5H2,1H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid?
2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid has a molecular weight of 286.72 g/mol, XLogP of 1.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61243704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).