4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid

C14H15N3O4 — CID 114351775

IUPAC4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N3O4/c18-10-6-11(14(20)21)16(8-10)7-9-5-13(19)17-4-2-1-3-12(17)15-9/h1-5,10-11,18H,6-8H2,(H,20,21)
InChIKeyAZYKSAIXEPKSRP-UHFFFAOYSA-N
MW289.29 g/mol
LogP-0.29
Rot. Bonds3

About 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid

4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 114351775) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID114351775
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1Cc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H15N3O4/c18-10-6-11(14(20)21)16(8-10)7-9-5-13(19)17-4-2-1-3-12(17)15-9/h1-5,10-11,18H,6-8H2,(H,20,21)
InChIKeyAZYKSAIXEPKSRP-UHFFFAOYSA-N
XLogP-0.29
TPSA95.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3aR,7aS)-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 125148100
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-[[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62046354
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[(1R,5R)-3-pyrimidin-2-yl-3,6-diazabicyclo[3.2.2]nonan-6-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 72925618
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853203
2-[[(3aR,6S,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 118787487
(2S,4R)-4-hydroxy-1-[(2-propan-2-yl-1,3-oxazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 91838505

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 114351775) is 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1Cc1cc(=O)n2ccccc2n1.
What is the InChIKey of 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AZYKSAIXEPKSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c18-10-6-11(14(20)21)16(8-10)7-9-5-13(19)17-4-2-1-3-12(17)15-9/h1-5,10-11,18H,6-8H2,(H,20,21).
What are the key properties of 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid?
4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of -0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114351775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).