(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid

C13H18N2O4 — CID 100730155

IUPAC(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
SMILESCOC[C@@](C)(NC(=O)Nc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-4-6-10(7-5-9)14-12(18)15-13(2,8-19-3)11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18)/t13-/m1/s1
InChIKeyGGTAQRYDUWZEMS-CYBMUJFWSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds5

About (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid

(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid (PubChem CID 100730155) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
PubChem CID100730155
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid
SMILESCOC[C@@](C)(NC(=O)Nc1ccc(C)cc1)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-9-4-6-10(7-5-9)14-12(18)15-13(2,8-19-3)11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18)/t13-/m1/s1
InChIKeyGGTAQRYDUWZEMS-CYBMUJFWSA-N
XLogP1.61
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic 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

1-(methoxymethyl)-3-(4-methylphenyl)urea
CID 110675978
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
2-[(4-bromophenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798189
2-[(4-ethylphenyl)carbamoylamino]-2-methylbutanoic acid
CID 79798274
2-methyl-2-[(4-propan-2-yloxyphenyl)carbamoylamino]butanoic acid
CID 79791702
1-(3-hydroxy-2-methylbutan-2-yl)-3-(4-methylphenyl)urea
CID 113342009
2-[(4-fluorophenyl)carbamoylamino]-2-methylpentanoic acid
CID 43619154
2-[(4-ethoxyphenyl)carbamoylamino]-2-methylpentanoic acid
CID 61182733
2-methyl-2-[(3-methylphenyl)carbamoylamino]butanoic acid
CID 79792256
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
3-methoxy-2-(4-methylanilino)-2-phenylpropanoic acid
CID 103464838
3-methoxy-2-methyl-2-[[4-(propan-2-ylcarbamoyl)benzoyl]amino]propanoic acid
CID 120531734

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid?
The IUPAC name of (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid (CID 100730155) is (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid.
What is the SMILES notation for (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid?
The canonical SMILES for (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid is COC[C@@](C)(NC(=O)Nc1ccc(C)cc1)C(=O)O.
What is the InChIKey of (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid?
The InChIKey is GGTAQRYDUWZEMS-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-9-4-6-10(7-5-9)14-12(18)15-13(2,8-19-3)11(16)17/h4-7H,8H2,1-3H3,(H,16,17)(H2,14,15,18)/t13-/m1/s1.
What are the key properties of (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid?
(2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-2-methyl-2-[(4-methylphenyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 100730155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).