2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

C7H9N3O3 — CID 136958425

IUPAC2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-5-2-6(11)9-3-8-5/h2-4H,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyKCYJUCPFUQQQAY-UHFFFAOYSA-N
MW183.17 g/mol
LogP-0.35
Rot. Bonds3

About 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid

2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (PubChem CID 136958425) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
PubChem CID136958425
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
SMILESCC(Nc1cc(=O)[nH]cn1)C(=O)O
InChIInChI=1S/C7H9N3O3/c1-4(7(12)13)10-5-2-6(11)9-3-8-5/h2-4H,1H3,(H,12,13)(H2,8,9,10,11)
InChIKeyKCYJUCPFUQQQAY-UHFFFAOYSA-N
XLogP-0.35
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Fluoro-6-oxo-1,6-dihydro-pyrimidin-2-ylamino)-propionic acid
CID 135403532
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135468165
2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135533392
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674881
(2S)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674882
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoate
CID 135674883
(2R)-2-[(4-fluoro-6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 135674884
3,3,3-trifluoro-2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959290
2-[(6-oxo-1H-pyrimidin-2-yl)amino]propanoic acid
CID 133621396
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955988
4-(1-hydroxypropan-2-ylamino)-1H-pyrimidin-6-one
CID 136956084
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088

Frequently Asked Questions

What is the IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid (CID 136958425) is 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is CC(Nc1cc(=O)[nH]cn1)C(=O)O.
What is the InChIKey of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
The InChIKey is KCYJUCPFUQQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-4(7(12)13)10-5-2-6(11)9-3-8-5/h2-4H,1H3,(H,12,13)(H2,8,9,10,11).
What are the key properties of 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid?
2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 136958425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).