2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid

C11H15N3O3 — CID 62820189

IUPAC2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)Nc1cccnc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-11(2,9(15)16)14(3)10(17)13-8-5-4-6-12-7-8/h4-7H,1-3H3,(H,13,17)(H,15,16)
InChIKeyNLSISGXRPLSQJD-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.41
Rot. Bonds3

About 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid

2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid (PubChem CID 62820189) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
PubChem CID62820189
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
SMILESCN(C(=O)Nc1cccnc1)C(C)(C)C(=O)O
InChIInChI=1S/C11H15N3O3/c1-11(2,9(15)16)14(3)10(17)13-8-5-4-6-12-7-8/h4-7H,1-3H3,(H,13,17)(H,15,16)
InChIKeyNLSISGXRPLSQJD-UHFFFAOYSA-N
XLogP1.41
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-acetamidophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820562
2-[tert-butyl(pyridin-3-ylcarbamoyl)amino]acetic acid
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1-ethyl-1-hydroxy-3-pyridin-3-ylurea
CID 130385554
1-(dimethylamino)-3-pyridin-3-ylurea
CID 123360253
2-methyl-2-[methyl-[(4-methylsulfanylphenyl)carbamoyl]amino]propanoic acid
CID 62822129
2-phenyl-2-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 62487672
3-[ethyl(pyridin-3-ylcarbamoyl)amino]propanoic acid
CID 61187084
4-tert-butyl-N-pyridin-3-ylbenzamide
CID 676176
1-(1-cyclopropylethyl)-1-methyl-3-pyridin-3-ylurea
CID 24657988
1-phenyl-1-propyl-3-pyridin-3-ylurea
CID 30845452
1-(2,2-dimethylpropyl)-3-pyridin-3-ylurea
CID 15665739
N'-tert-butyl-N'-ethyl-N-pyridin-3-yloxamide
CID 108526028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid (CID 62820189) is 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid is CN(C(=O)Nc1cccnc1)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
The InChIKey is NLSISGXRPLSQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-11(2,9(15)16)14(3)10(17)13-8-5-4-6-12-7-8/h4-7H,1-3H3,(H,13,17)(H,15,16).
What are the key properties of 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid?
2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(pyridin-3-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 62820189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).