2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid

C7H9N3O3 — CID 119093984

IUPAC2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESNC(Cc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-5(6(11)12)3-4-1-2-9-7(13)10-4/h1-2,5H,3,8H2,(H,11,12)(H,9,10,13)
InChIKeyMQLUJWVCLFRMHD-UHFFFAOYSA-N
MW183.17 g/mol
LogP-1.28
Rot. Bonds3

About 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid

2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (PubChem CID 119093984) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
PubChem CID119093984
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
SMILESNC(Cc1ccnc(=O)[nH]1)C(=O)O
InChIInChI=1S/C7H9N3O3/c8-5(6(11)12)3-4-1-2-9-7(13)10-4/h1-2,5H,3,8H2,(H,11,12)(H,9,10,13)
InChIKeyMQLUJWVCLFRMHD-UHFFFAOYSA-N
XLogP-1.28
TPSA109.07 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 ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-4-(2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 100963395
4-Amino-2,3-dihydropyridine-2-carboxylic acid
CID 174716021
3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid
CID 82413493

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid (CID 119093984) is 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is NC(Cc1ccnc(=O)[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
The InChIKey is MQLUJWVCLFRMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c8-5(6(11)12)3-4-1-2-9-7(13)10-4/h1-2,5H,3,8H2,(H,11,12)(H,9,10,13).
What are the key properties of 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid?
2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid has a molecular weight of 183.17 g/mol, XLogP of -1.28, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-oxo-1H-pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 119093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).