3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C7H9N3O3 — CID 136958370

IUPAC3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H9N3O3/c11-6-3-5(9-4-10-6)8-2-1-7(12)13/h3-4H,1-2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyYSSPJKJZCDWCQK-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.34
Rot. Bonds4

About 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958370) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958370
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESO=C(O)CCNc1cc(=O)[nH]cn1
InChIInChI=1S/C7H9N3O3/c11-6-3-5(9-4-10-6)8-2-1-7(12)13/h3-4H,1-2H2,(H,12,13)(H2,8,9,10,11)
InChIKeyYSSPJKJZCDWCQK-UHFFFAOYSA-N
XLogP-0.34
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135491956
2,2-difluoro-3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 137257541
3-(4H-pyrimidine-3-carbonylamino)propanoic acid
CID 173207702
3-[(6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 129925769
4-(3-hydroxypropylamino)-1H-pyrimidin-6-one
CID 136956030
3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanamide
CID 136956112
methyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956205
ethyl 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956416
3-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958369
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958373
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958375
4-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958377

Frequently Asked Questions

What is the IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958370) is 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is O=C(O)CCNc1cc(=O)[nH]cn1.
What is the InChIKey of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is YSSPJKJZCDWCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6-3-5(9-4-10-6)8-2-1-7(12)13/h3-4H,1-2H2,(H,12,13)(H2,8,9,10,11).
What are the key properties of 3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
3-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.34, 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-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).