(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid

C14H17N3O3 — CID 122049081

IUPAC(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)7-10(14(19)20)15-11-8-13(18)17-6-4-3-5-12(17)16-11/h3-6,8-10,15H,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyFIGVASSQMXQPPP-SNVBAGLBSA-N
MW275.31 g/mol
LogP1.61
Rot. Bonds5

About (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid

(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid (PubChem CID 122049081) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
PubChem CID122049081
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid
SMILESCC(C)C[C@@H](Nc1cc(=O)n2ccccc2n1)C(=O)O
InChIInChI=1S/C14H17N3O3/c1-9(2)7-10(14(19)20)15-11-8-13(18)17-6-4-3-5-12(17)16-11/h3-6,8-10,15H,7H2,1-2H3,(H,19,20)/t10-/m1/s1
InChIKeyFIGVASSQMXQPPP-SNVBAGLBSA-N
XLogP1.61
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid (CID 122049081) is (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid is CC(C)C[C@@H](Nc1cc(=O)n2ccccc2n1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is FIGVASSQMXQPPP-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)7-10(14(19)20)15-11-8-13(18)17-6-4-3-5-12(17)16-11/h3-6,8-10,15H,7H2,1-2H3,(H,19,20)/t10-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid?
(2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 275.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 122049081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).