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

C10H12N4O5 — CID 149260851

IUPAC3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
SMILESCNC(=O)c1cnc(C(=O)NCCC(=O)O)[nH]c1=O
InChIInChI=1S/C10H12N4O5/c1-11-8(17)5-4-13-7(14-9(5)18)10(19)12-3-2-6(15)16/h4H,2-3H2,1H3,(H,11,17)(H,12,19)(H,15,16)(H,13,14,18)
InChIKeyXPEWZFSIFKGEMX-UHFFFAOYSA-N
MW268.23 g/mol
LogP-1.67
Rot. Bonds5

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

3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid (PubChem CID 149260851) has the molecular formula C10H12N4O5 and a molecular weight of 268.23 g/mol. Its IUPAC name is 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
PubChem CID149260851
Molecular FormulaC10H12N4O5
Molecular Weight268.23 g/mol
Exact Mass268.08
IUPAC Name3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid
SMILESCNC(=O)c1cnc(C(=O)NCCC(=O)O)[nH]c1=O
InChIInChI=1S/C10H12N4O5/c1-11-8(17)5-4-13-7(14-9(5)18)10(19)12-3-2-6(15)16/h4H,2-3H2,1H3,(H,11,17)(H,12,19)(H,15,16)(H,13,14,18)
InChIKeyXPEWZFSIFKGEMX-UHFFFAOYSA-N
XLogP-1.67
TPSA141.25 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-1.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
2-methyl-3-[(5-methyl-6-oxo-1H-pyrimidine-2-carbonyl)amino]propanoic acid
CID 145057810
2-(Acetamidomethyl)-4-hydroxypyrimidine-5-carboxylic acid
CID 165721726
2-(1-Acetamidoethyl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 165939201

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid (CID 149260851) is 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid is CNC(=O)c1cnc(C(=O)NCCC(=O)O)[nH]c1=O.
What is the InChIKey of 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid?
The InChIKey is XPEWZFSIFKGEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O5/c1-11-8(17)5-4-13-7(14-9(5)18)10(19)12-3-2-6(15)16/h4H,2-3H2,1H3,(H,11,17)(H,12,19)(H,15,16)(H,13,14,18).
What are the key properties of 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid?
3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid has a molecular weight of 268.23 g/mol, XLogP of -1.67, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(methylcarbamoyl)-6-oxo-1H-pyrimidine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 149260851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).