(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid

C7H11N3O4 — CID 67313284

IUPAC(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
SMILESN[C@@H](CN1C(=O)C=CNC1O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4,7,9,14H,3,8H2,(H,12,13)/t4-,7?/m0/s1
InChIKeyQWKRCTUHBZLCNB-LRYVRFSDSA-N
MW201.18 g/mol
LogP-2.38
Rot. Bonds3

About (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid

(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid (PubChem CID 67313284) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
PubChem CID67313284
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid
SMILESN[C@@H](CN1C(=O)C=CNC1O)C(=O)O
InChIInChI=1S/C7H11N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4,7,9,14H,3,8H2,(H,12,13)/t4-,7?/m0/s1
InChIKeyQWKRCTUHBZLCNB-LRYVRFSDSA-N
XLogP-2.38
TPSA115.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-2.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid (CID 67313284) is (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid is N[C@@H](CN1C(=O)C=CNC1O)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid?
The InChIKey is QWKRCTUHBZLCNB-LRYVRFSDSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-4(6(12)13)3-10-5(11)1-2-9-7(10)14/h1-2,4,7,9,14H,3,8H2,(H,12,13)/t4-,7?/m0/s1.
What are the key properties of (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid?
(2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid has a molecular weight of 201.18 g/mol, XLogP of -2.38, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(2-hydroxy-4-oxo-1,2-dihydropyrimidin-3-yl)propanoic acid is sourced from PubChem (CID 67313284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).