2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid

C13H18N2O4 — CID 61200115

IUPAC2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCc1cccc(NC(=O)NC(C(=O)O)C(C)O)c1C
InChIInChI=1S/C13H18N2O4/c1-7-5-4-6-10(8(7)2)14-13(19)15-11(9(3)16)12(17)18/h4-6,9,11,16H,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyHYDQMSFCBSGLRA-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.26
Rot. Bonds4

About 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid

2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid (PubChem CID 61200115) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
PubChem CID61200115
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid
SMILESCc1cccc(NC(=O)NC(C(=O)O)C(C)O)c1C
InChIInChI=1S/C13H18N2O4/c1-7-5-4-6-10(8(7)2)14-13(19)15-11(9(3)16)12(17)18/h4-6,9,11,16H,1-3H3,(H,17,18)(H2,14,15,19)
InChIKeyHYDQMSFCBSGLRA-UHFFFAOYSA-N
XLogP1.26
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2,3-dimethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 113416485
methyl (2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-3-methylbutanoate
CID 944009
2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 61183462
(2S,3R)-2-[(5-bromo-2-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104965913
2-[(5-bromo-2-methylphenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61206153
1-(2,3-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890295
2-[(2,6-difluorophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 61195936
N-(2,3-dimethylphenyl)-2-(phenylcarbamoylamino)propanamide
CID 51148374
(2S)-2-amino-N-(2,3-dimethylphenyl)propanamide
CID 22690572
1-(2,3-dimethylphenyl)-3-(2-propan-2-ylphenyl)urea
CID 108991425
(2S,3R)-2-[(2,5-dibromophenyl)carbamoylamino]-3-hydroxybutanoic acid
CID 104966010
(2S)-2-[(2,3-dimethylphenyl)carbamoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307321

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid (CID 61200115) is 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid is Cc1cccc(NC(=O)NC(C(=O)O)C(C)O)c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
The InChIKey is HYDQMSFCBSGLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-5-4-6-10(8(7)2)14-13(19)15-11(9(3)16)12(17)18/h4-6,9,11,16H,1-3H3,(H,17,18)(H2,14,15,19).
What are the key properties of 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid?
2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamoylamino]-3-hydroxybutanoic acid is sourced from PubChem (CID 61200115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).