3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid

C8H9N3O4 — CID 136614758

IUPAC3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H9N3O4/c12-6-3-5(10-4-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,13,14)(H,10,11,12)
InChIKeyOAIMPSJSPBRKHS-UHFFFAOYSA-N
MW211.18 g/mol
LogP-1.03
Rot. Bonds4

About 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid

3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid (PubChem CID 136614758) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid
PubChem CID136614758
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid
SMILESO=C(O)CCNC(=O)c1cc(=O)[nH]cn1
InChIInChI=1S/C8H9N3O4/c12-6-3-5(10-4-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,13,14)(H,10,11,12)
InChIKeyOAIMPSJSPBRKHS-UHFFFAOYSA-N
XLogP-1.03
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-1.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)methylamino]propanoic acid
CID 137286215
ethyl 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoate
CID 136614759
2-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]butanoic acid
CID 140557756
2-Acetamido-3-(6-oxopyrimidin-1-yl)propanoic acid
CID 64580918
2-Acetamido-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 64581111
2-Acetamido-3-(2,4-dimethyl-6-oxopyrimidin-1-yl)propanoic acid
CID 64582100
2-Amino-3-(6-oxopyrimidin-1-yl)propanoic acid
CID 65441841
2-Amino-3-(4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 65443611
2-Acetamido-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79366666
2-Amino-3-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)propanoic acid
CID 79367410
3-[[2-(methylsulfanylmethyl)-6-oxo-1H-pyrimidine-4-carbonyl]amino]propanoic acid
CID 136705741

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid (CID 136614758) is 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid is O=C(O)CCNC(=O)c1cc(=O)[nH]cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid?
The InChIKey is OAIMPSJSPBRKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c12-6-3-5(10-4-11-6)8(15)9-2-1-7(13)14/h3-4H,1-2H2,(H,9,15)(H,13,14)(H,10,11,12).
What are the key properties of 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid?
3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid has a molecular weight of 211.18 g/mol, XLogP of -1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-oxo-1H-pyrimidine-4-carbonyl)amino]propanoic acid is sourced from PubChem (CID 136614758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).