2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid

C14H20N2O3 — CID 62002129

IUPAC2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(C)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-11(13(17)18)15-14(19)16(4)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyHFSVLSXBNSTMOD-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.31
Rot. Bonds4

About 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid

2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid (PubChem CID 62002129) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
PubChem CID62002129
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid
SMILESCCC(NC(=O)N(C)c1ccc(C)cc1C)C(=O)O
InChIInChI=1S/C14H20N2O3/c1-5-11(13(17)18)15-14(19)16(4)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,19)(H,17,18)
InChIKeyHFSVLSXBNSTMOD-UHFFFAOYSA-N
XLogP2.31
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-hydroxybutanoic acid
CID 62003259
(2S)-4-amino-2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobutanoic acid
CID 63717377
2-[(2,4-dimethylphenyl)carbamoylamino]butanoic acid
CID 61187462
3-tert-butyl-1-(2,4-dimethylphenyl)-1-methylurea
CID 115695066
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-3-methoxybutanoic acid
CID 103159203
2-[(2,4-dimethylphenyl)-methylcarbamoyl]-3-methylbutanoic acid
CID 115186176
4-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]-4-oxobut-2-enoic acid
CID 76930790
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
2-[[(E)-3-(2,4-dimethylphenyl)prop-2-enoyl]amino]butanoic acid
CID 43469403
(2S)-4-amino-2-[[methyl-(2-methylphenyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63717563
ethyl 3-oxo-3-(N,2,4-trimethylanilino)propanoate
CID 115138496
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43387165

Frequently Asked Questions

What is the IUPAC name of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid?
The IUPAC name of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid (CID 62002129) is 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid?
The canonical SMILES for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid is CCC(NC(=O)N(C)c1ccc(C)cc1C)C(=O)O.
What is the InChIKey of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid?
The InChIKey is HFSVLSXBNSTMOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-5-11(13(17)18)15-14(19)16(4)12-7-6-9(2)8-10(12)3/h6-8,11H,5H2,1-4H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid?
2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid has a molecular weight of 264.32 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2,4-dimethylphenyl)-methylcarbamoyl]amino]butanoic acid is sourced from PubChem (CID 62002129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).