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

C14H22N2O5 — CID 82217107

IUPAC2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCOCCCn1c(C)cc(=O)c(O)c1CN(C)CC(=O)O
InChIInChI=1S/C14H22N2O5/c1-10-7-12(17)14(20)11(8-15(2)9-13(18)19)16(10)5-4-6-21-3/h7,20H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPOOADXYKBYEBMO-UHFFFAOYSA-N
MW298.34 g/mol
LogP0.42
Rot. Bonds8

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

2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (PubChem CID 82217107) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
PubChem CID82217107
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid
SMILESCOCCCn1c(C)cc(=O)c(O)c1CN(C)CC(=O)O
InChIInChI=1S/C14H22N2O5/c1-10-7-12(17)14(20)11(8-15(2)9-13(18)19)16(10)5-4-6-21-3/h7,20H,4-6,8-9H2,1-3H3,(H,18,19)
InChIKeyPOOADXYKBYEBMO-UHFFFAOYSA-N
XLogP0.42
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The IUPAC name of 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid (CID 82217107) is 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The canonical SMILES for 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is COCCCn1c(C)cc(=O)c(O)c1CN(C)CC(=O)O.
What is the InChIKey of 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
The InChIKey is POOADXYKBYEBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-10-7-12(17)14(20)11(8-15(2)9-13(18)19)16(10)5-4-6-21-3/h7,20H,4-6,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid?
2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid has a molecular weight of 298.34 g/mol, XLogP of 0.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-hydroxy-1-(3-methoxypropyl)-6-methyl-4-oxo-2-pyridinyl]methyl-methylamino]acetic acid is sourced from PubChem (CID 82217107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).