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

C10H14N4O3 — CID 55007752

IUPAC2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C10H14N4O3/c1-7(8(15)16)6-14(2)10(17)13-9-11-4-3-5-12-9/h3-5,7H,6H2,1-2H3,(H,15,16)(H,11,12,13,17)
InChIKeyOLAPZTNVBGDUPR-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.66
Rot. Bonds4

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

2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid (PubChem CID 55007752) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
PubChem CID55007752
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid
SMILESCC(CN(C)C(=O)Nc1ncccn1)C(=O)O
InChIInChI=1S/C10H14N4O3/c1-7(8(15)16)6-14(2)10(17)13-9-11-4-3-5-12-9/h3-5,7H,6H2,1-2H3,(H,15,16)(H,11,12,13,17)
InChIKeyOLAPZTNVBGDUPR-UHFFFAOYSA-N
XLogP0.66
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]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-[(2-tert-butylpyrazol-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090426
3-[(4-bromo-2-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091610
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172
3-[(5,6-diethyl-1,2,4-triazin-3-yl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 114388555
2-methyl-3-[methyl-[(5-methyl-2-pyridinyl)carbamoyl]amino]propanoic acid
CID 122089410
2-methyl-3-[methyl-[(2-morpholin-4-yl-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 122077569
2-methyl-3-[methyl-[(1-methylpyrazol-3-yl)carbamoyl]amino]propanoic acid
CID 55007522
2-methyl-3-[methyl-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoyl]amino]propanoic acid
CID 122076890
3-[[2-[(2-bromophenyl)methyl]pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122090623
3-[[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]carbamoyl-methylamino]-2-methylpropanoic acid
CID 122091236
3-[(2-methoxy-5-methyl-3-pyridinyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 122086035
3-[[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]carbamoyl]amino]pyridine-2-carboxylic acid
CID 106917296

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid (CID 55007752) is 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid is CC(CN(C)C(=O)Nc1ncccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid?
The InChIKey is OLAPZTNVBGDUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7(8(15)16)6-14(2)10(17)13-9-11-4-3-5-12-9/h3-5,7H,6H2,1-2H3,(H,15,16)(H,11,12,13,17).
What are the key properties of 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid?
2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid has a molecular weight of 238.25 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(pyrimidin-2-ylcarbamoyl)amino]propanoic acid is sourced from PubChem (CID 55007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).