(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid

C13H14N2O4 — CID 104876351

IUPAC(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
SMILESCc1cccn2c(=O)cc(CO[C@@H](C)C(=O)O)nc12
InChIInChI=1S/C13H14N2O4/c1-8-4-3-5-15-11(16)6-10(14-12(8)15)7-19-9(2)13(17)18/h3-6,9H,7H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyRSLMOXPJCIZDEF-VIFPVBQESA-N
MW262.27 g/mol
LogP0.99
Rot. Bonds4

About (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid

(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid (PubChem CID 104876351) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
PubChem CID104876351
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid
SMILESCc1cccn2c(=O)cc(CO[C@@H](C)C(=O)O)nc12
InChIInChI=1S/C13H14N2O4/c1-8-4-3-5-15-11(16)6-10(14-12(8)15)7-19-9(2)13(17)18/h3-6,9H,7H2,1-2H3,(H,17,18)/t9-/m0/s1
InChIKeyRSLMOXPJCIZDEF-VIFPVBQESA-N
XLogP0.99
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methoxy]propanoic acid
CID 104876154
2-methyl-N-[3-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]propanamide
CID 22580453
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoate
CID 8940804
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoate
CID 8847272
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55734503
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-[(3-methylbenzoyl)amino]propanoate
CID 8885736
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 2-hydroxy-5-methylbenzoate
CID 46805251
2-(2-aminoethyl)-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115022990
4-methyl-N-[2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]phenyl]benzamide
CID 46356035
(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl (2S)-2-(adamantane-1-carbonylamino)propanoate
CID 8888880
9-methyl-2-[[methyl-[(1S)-1-phenylethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92804654
2-[ethyl-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]amino]acetic acid
CID 61013216

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid?
The IUPAC name of (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid (CID 104876351) is (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid?
The canonical SMILES for (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid is Cc1cccn2c(=O)cc(CO[C@@H](C)C(=O)O)nc12.
What is the InChIKey of (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid?
The InChIKey is RSLMOXPJCIZDEF-VIFPVBQESA-N. The full InChI is InChI=1S/C13H14N2O4/c1-8-4-3-5-15-11(16)6-10(14-12(8)15)7-19-9(2)13(17)18/h3-6,9H,7H2,1-2H3,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid?
(2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid has a molecular weight of 262.27 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methoxy]propanoic acid is sourced from PubChem (CID 104876351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).