3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid

C10H13N3O3 — CID 122088409

IUPAC3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cc(NC(=O)NCCC(=O)O)ccn1
InChIInChI=1S/C10H13N3O3/c1-7-6-8(2-4-11-7)13-10(16)12-5-3-9(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCFWXHOQFIAHLIK-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.99
Rot. Bonds4

About 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid

3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid (PubChem CID 122088409) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
PubChem CID122088409
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid
SMILESCc1cc(NC(=O)NCCC(=O)O)ccn1
InChIInChI=1S/C10H13N3O3/c1-7-6-8(2-4-11-7)13-10(16)12-5-3-9(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)(H2,11,12,13,16)
InChIKeyCFWXHOQFIAHLIK-UHFFFAOYSA-N
XLogP0.99
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[(2-methyl-4-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

3-(methylamino)-N-(2-methyl-4-pyridinyl)propanamide
CID 79240940
N-(2-methyl-4-pyridinyl)butanamide
CID 78910950
4-(pyridin-4-ylcarbamoylamino)butanoic acid
CID 108892691
2-acetamido-N-(2-methyl-4-pyridinyl)acetamide
CID 110687090
1-(4-chlorophenyl)-3-(2-methyl-4-pyridinyl)urea
CID 110755160
3-[(3-tert-butylphenyl)carbamoylamino]propanoic acid
CID 67975455
4-hydroxy-N-(2-methyl-4-pyridinyl)butanamide
CID 79240902
3-(pyridin-3-ylcarbamoylamino)propanoic acid
CID 61187643
3-[(3-bromo-5-methylphenyl)carbamoylamino]propanoic acid
CID 107576602
1-(4-hydroxy-3-methylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 86818366
1-(4-acetylphenyl)-3-(2-methyl-4-pyridinyl)urea
CID 84521860
3-[(4-ethyl-3-fluorophenyl)carbamoylamino]propanoic acid
CID 122087500

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid (CID 122088409) is 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid is Cc1cc(NC(=O)NCCC(=O)O)ccn1.
What is the InChIKey of 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid?
The InChIKey is CFWXHOQFIAHLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-7-6-8(2-4-11-7)13-10(16)12-5-3-9(14)15/h2,4,6H,3,5H2,1H3,(H,14,15)(H2,11,12,13,16).
What are the key properties of 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid?
3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-pyridinyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 122088409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).