2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid

C10H13N3O4 — CID 145057810

IUPAC2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NCC(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-5-3-11-7(13-8(5)14)9(15)12-4-6(2)10(16)17/h3,6H,4H2,1-2H3,(H,12,15)(H,16,17)(H,11,13,14)
InChIKeyUHKRVULLEXICLP-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.47
Rot. Bonds4

About 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid

2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid (PubChem CID 145057810) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
PubChem CID145057810
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
SMILESCc1cnc(C(=O)NCC(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C10H13N3O4/c1-5-3-11-7(13-8(5)14)9(15)12-4-6(2)10(16)17/h3,6H,4H2,1-2H3,(H,12,15)(H,16,17)(H,11,13,14)
InChIKeyUHKRVULLEXICLP-UHFFFAOYSA-N
XLogP-0.47
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 121277872
3-[[5-[bis(phosphanyl)methylcarbamoyl]-6-oxo-1H-pyrimidine-2-carbonyl]amino]-2-methylpropanoic acid
CID 121279142
2-[(3-methoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 130365728
2-[(3-ethoxy-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 130365739
2-[(3-ethoxy-2-methyl-3-oxopropyl)carbamoyl]-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 130365775
6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carboxylic acid
CID 144556041
2-methyl-3-[[6-oxo-5-(propylcarbamoyl)-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 145057827
3-[(5-carbamoyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
CID 145549740
2-[(5-carbamoyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]acetic acid
CID 145549742
3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
CID 149260851
3-[(4-Ethyl-3-oxopyrazin-2-yl)amino]-2-methylpropanoic acid
CID 62938389
2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
CID 84658320

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid (CID 145057810) is 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid is Cc1cnc(C(=O)NCC(C)C(=O)O)[nH]c1=O.
What is the InChIKey of 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid?
The InChIKey is UHKRVULLEXICLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-5-3-11-7(13-8(5)14)9(15)12-4-6(2)10(16)17/h3,6H,4H2,1-2H3,(H,12,15)(H,16,17)(H,11,13,14).
What are the key properties of 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid?
2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid has a molecular weight of 239.23 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid is sourced from PubChem (CID 145057810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).