(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid

C11H13ClN2O4 — CID 80757028

IUPAC(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCc1cccc(Cl)c1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-6-3-2-4-7(12)9(6)14-11(18)13-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t8-/m1/s1
InChIKeyDRBXOVAQLYSCLY-MRVPVSSYSA-N
MW272.69 g/mol
LogP1.22
Rot. Bonds4

About (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid

(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid (PubChem CID 80757028) has the molecular formula C11H13ClN2O4 and a molecular weight of 272.69 g/mol. Its IUPAC name is (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
PubChem CID80757028
Molecular FormulaC11H13ClN2O4
Molecular Weight272.69 g/mol
Exact Mass272.06
IUPAC Name(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
SMILESCc1cccc(Cl)c1NC(=O)N[C@H](CO)C(=O)O
InChIInChI=1S/C11H13ClN2O4/c1-6-3-2-4-7(12)9(6)14-11(18)13-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t8-/m1/s1
InChIKeyDRBXOVAQLYSCLY-MRVPVSSYSA-N
XLogP1.22
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 51.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-2-[(2-chloro-6-methylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 66252939
(2S)-2-[(3-chloro-2-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 61183463
2-[(2,6-dibromophenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 107601798
(2S)-3-hydroxy-2-[(2,4,6-trimethylphenyl)carbamoylamino]propanoic acid
CID 61181326
(2R)-4-amino-2-[(2,6-dimethylphenyl)carbamoylamino]-4-oxobutanoic acid
CID 107825937
5-[(2-chloro-6-methylphenyl)carbamoylamino]-2-methylpentanoic acid
CID 104686781
(2S)-2-[[2-[(2-chloro-6-methylphenyl)carbamoylamino]benzoyl]amino]butanedioic acid
CID 58994847
(2R)-2-[(2-fluoro-6-methylphenyl)carbamoylamino]-4-hydroxybutanoic acid
CID 107829274
(2S)-2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 28508457
2-[(2,6-dimethylphenyl)carbamoylamino]propanoic acid
CID 61190244
5-amino-2-[(2,6-dichlorophenyl)carbamoylamino]-5-oxopentanoic acid
CID 65498843
(2R)-2-[(2-chloro-4-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80756077

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The IUPAC name of (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid (CID 80757028) is (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The canonical SMILES for (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid is Cc1cccc(Cl)c1NC(=O)N[C@H](CO)C(=O)O.
What is the InChIKey of (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
The InChIKey is DRBXOVAQLYSCLY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13ClN2O4/c1-6-3-2-4-7(12)9(6)14-11(18)13-8(5-15)10(16)17/h2-4,8,15H,5H2,1H3,(H,16,17)(H2,13,14,18)/t8-/m1/s1.
What are the key properties of (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid?
(2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid has a molecular weight of 272.69 g/mol, XLogP of 1.22, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-chloro-6-methylphenyl)carbamoylamino]-3-hydroxypropanoic acid is sourced from PubChem (CID 80757028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).