2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid

C11H15N3O3 — CID 107265722

IUPAC2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(6-12-5-7)13-10(17)14-11(2,3)9(15)16/h4-6H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyZXOUVGBJJKWXNR-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.37
Rot. Bonds3

About 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid

2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 107265722) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
PubChem CID107265722
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cncc(NC(=O)NC(C)(C)C(=O)O)c1
InChIInChI=1S/C11H15N3O3/c1-7-4-8(6-12-5-7)13-10(17)14-11(2,3)9(15)16/h4-6H,1-3H3,(H,15,16)(H2,13,14,17)
InChIKeyZXOUVGBJJKWXNR-UHFFFAOYSA-N
XLogP1.37
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[(5-methyl-3-pyridinyl)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-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
2-[(5-methyl-3-pyridinyl)carbamoylamino]acetic acid
CID 107265694
4,4-dimethyl-3-[(5-methyl-3-pyridinyl)carbamoylamino]pentanoic acid
CID 107586010
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
2-[2-[(5-methyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 107584595
1-butyl-3-(5-methyl-3-pyridinyl)urea
CID 103739077
2-[(5-methyl-3-pyridinyl)sulfamoyl]acetic acid
CID 107584611
(2S)-2-[(5-methyl-3-pyridinyl)carbamoylamino]butanoic acid
CID 107586158
(2S)-3-hydroxy-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107265712
2-hydroxy-3-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 107586007
2-[(4-fluoro-3-methylphenyl)carbamoylamino]-2-methylpropanoic acid
CID 62813765
2-[2-[(5-methyl-3-pyridinyl)carbamoylamino]-2-oxoethoxy]acetic acid
CID 107585817

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid (CID 107265722) is 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is Cc1cncc(NC(=O)NC(C)(C)C(=O)O)c1.
What is the InChIKey of 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is ZXOUVGBJJKWXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-8(6-12-5-7)13-10(17)14-11(2,3)9(15)16/h4-6H,1-3H3,(H,15,16)(H2,13,14,17).
What are the key properties of 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid?
2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 237.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-methyl-3-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 107265722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).