2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid

C10H13N3O3 — CID 114897739

IUPAC2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
SMILESCc1nccc(CNC(=O)C(C)C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-6(10(15)16)9(14)12-5-8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUGSOXMIZLMAXDR-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.12
Rot. Bonds4

About 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid

2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid (PubChem CID 114897739) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
PubChem CID114897739
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
SMILESCc1nccc(CNC(=O)C(C)C(=O)O)n1
InChIInChI=1S/C10H13N3O3/c1-6(10(15)16)9(14)12-5-8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16)
InChIKeyUGSOXMIZLMAXDR-UHFFFAOYSA-N
XLogP0.12
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic 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

2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobutanoic acid
CID 103497934
2-methyl-3-(methylamino)-N-[(2-methylpyrimidin-4-yl)methyl]propanamide
CID 79202738
(2S)-2-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylacetamide
CID 93444407
N-[(2-methylpyrimidin-4-yl)methyl]-2-(propan-2-ylamino)acetamide
CID 61016997
1-(3-methylbutan-2-yl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 47328249
3-amino-N-[(2-methylpyrimidin-4-yl)methyl]-2-phenylpropanamide;hydrochloride
CID 119742337
2-[(2-methylpyrimidin-4-yl)methylsulfamoyl]propanoic acid
CID 54947709
2-[(2-methylpyrimidin-4-yl)methylamino]-N-prop-2-ynylpropanamide
CID 54901602
2,2-dimethyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid
CID 82821483
3-[(2-methylpyrimidin-4-yl)methylamino]butanoic acid
CID 61015669
2,3-dimethyl-4-[(2-methylpyrimidin-4-yl)methylamino]-4-oxobut-2-enoic acid
CID 76993148
2-(2-aminophenyl)-N-[(2-methylpyrimidin-4-yl)methyl]acetamide
CID 61138716

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid?
The IUPAC name of 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid (CID 114897739) is 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid.
What is the SMILES notation for 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid?
The canonical SMILES for 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid is Cc1nccc(CNC(=O)C(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid?
The InChIKey is UGSOXMIZLMAXDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6(10(15)16)9(14)12-5-8-3-4-11-7(2)13-8/h3-4,6H,5H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid?
2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid has a molecular weight of 223.23 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2-methylpyrimidin-4-yl)methylamino]-3-oxopropanoic acid is sourced from PubChem (CID 114897739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).