(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid

C12H11N3O5 — CID 107833801

IUPAC(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11N3O5/c16-8(12(19)20)6-14-10(17)7-5-13-9-3-1-2-4-15(9)11(7)18/h1-5,8,16H,6H2,(H,14,17)(H,19,20)/t8-/m0/s1
InChIKeyLTDAFAQMUNFSRH-QMMMGPOBSA-N
MW277.24 g/mol
LogP-1.13
Rot. Bonds4

About (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid

(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid (PubChem CID 107833801) has the molecular formula C12H11N3O5 and a molecular weight of 277.24 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
PubChem CID107833801
Molecular FormulaC12H11N3O5
Molecular Weight277.24 g/mol
Exact Mass277.07
IUPAC Name(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
SMILESO=C(NC[C@H](O)C(=O)O)c1cnc2ccccn2c1=O
InChIInChI=1S/C12H11N3O5/c16-8(12(19)20)6-14-10(17)7-5-13-9-3-1-2-4-15(9)11(7)18/h1-5,8,16H,6H2,(H,14,17)(H,19,20)/t8-/m0/s1
InChIKeyLTDAFAQMUNFSRH-QMMMGPOBSA-N
XLogP-1.13
TPSA121.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid (CID 107833801) is (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid is O=C(NC[C@H](O)C(=O)O)c1cnc2ccccn2c1=O.
What is the InChIKey of (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
The InChIKey is LTDAFAQMUNFSRH-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H11N3O5/c16-8(12(19)20)6-14-10(17)7-5-13-9-3-1-2-4-15(9)11(7)18/h1-5,8,16H,6H2,(H,14,17)(H,19,20)/t8-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid?
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid has a molecular weight of 277.24 g/mol, XLogP of -1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 107833801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).