2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid

C14H19N3O4 — CID 62820562

IUPAC2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(=O)Nc1cccc(NC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-9(18)15-10-6-5-7-11(8-10)16-13(21)17(4)14(2,3)12(19)20/h5-8H,1-4H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyOBZCXUCRNRBZDF-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.97
Rot. Bonds4

About 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid

2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (PubChem CID 62820562) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
PubChem CID62820562
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
SMILESCC(=O)Nc1cccc(NC(=O)N(C)C(C)(C)C(=O)O)c1
InChIInChI=1S/C14H19N3O4/c1-9(18)15-10-6-5-7-11(8-10)16-13(21)17(4)14(2,3)12(19)20/h5-8H,1-4H3,(H,15,18)(H,16,21)(H,19,20)
InChIKeyOBZCXUCRNRBZDF-UHFFFAOYSA-N
XLogP1.97
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 62820189
2-[(2,3-dichlorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822338
2-methyl-2-[methyl-[(4-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 62822129
2-methyl-2-[methyl-[(4-propan-2-ylphenyl)carbamoyl]amino]propanoic acid
CID 62821086
2-methyl-2-[methyl-[(4-methyl-3-nitrophenyl)carbamoyl]amino]propanoic acid
CID 62822499
2-[(5-acetamido-2-fluorobenzoyl)-methylamino]-2-methylpropanoic acid
CID 120518774
2-[(3-acetylphenyl)carbamoyl-ethylamino]-2-methylpropanoic acid
CID 62818347
N-(3-acetamidophenyl)-2-hydroxy-2-methylpropanamide
CID 103429382
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
2-[(2-ethylphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820218
N-[3-(hydrazinecarbonylamino)phenyl]acetamide
CID 82283644

Frequently Asked Questions

What is the IUPAC name of 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid (CID 62820562) is 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is CC(=O)Nc1cccc(NC(=O)N(C)C(C)(C)C(=O)O)c1.
What is the InChIKey of 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
The InChIKey is OBZCXUCRNRBZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(18)15-10-6-5-7-11(8-10)16-13(21)17(4)14(2,3)12(19)20/h5-8H,1-4H3,(H,15,18)(H,16,21)(H,19,20).
What are the key properties of 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid?
2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.97, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).