2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid

C15H24N2O5 — CID 94958530

IUPAC2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CC(=O)O
InChIInChI=1S/C15H24N2O5/c1-3-5-16(6-4-2)8-12-15(22)13(19)7-11(10-18)17(12)9-14(20)21/h7,18,22H,3-6,8-10H2,1-2H3,(H,20,21)
InChIKeyPARAGXPMVZEYRT-UHFFFAOYSA-N
MW312.37 g/mol
LogP0.75
Rot. Bonds9

About 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid

2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid (PubChem CID 94958530) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid
PubChem CID94958530
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid
SMILESCCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CC(=O)O
InChIInChI=1S/C15H24N2O5/c1-3-5-16(6-4-2)8-12-15(22)13(19)7-11(10-18)17(12)9-14(20)21/h7,18,22H,3-6,8-10H2,1-2H3,(H,20,21)
InChIKeyPARAGXPMVZEYRT-UHFFFAOYSA-N
XLogP0.75
TPSA103.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid (CID 94958530) is 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid is CCCN(CCC)Cc1c(O)c(=O)cc(CO)n1CC(=O)O.
What is the InChIKey of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid?
The InChIKey is PARAGXPMVZEYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-3-5-16(6-4-2)8-12-15(22)13(19)7-11(10-18)17(12)9-14(20)21/h7,18,22H,3-6,8-10H2,1-2H3,(H,20,21).
What are the key properties of 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid?
2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid has a molecular weight of 312.37 g/mol, XLogP of 0.75, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dipropylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 94958530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).