4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid

C15H22N2O4 — CID 60825246

IUPAC4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1cc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H22N2O4/c1-9(2)17(7-5-6-12(18)19)15(21)13-10(3)8-11(4)16-14(13)20/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyGUUPFLKBAHECBZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.71
Rot. Bonds6

About 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid

4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid (PubChem CID 60825246) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid.

Molecular Properties

Compound Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
PubChem CID60825246
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid
SMILESCc1cc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c(=O)[nH]1
InChIInChI=1S/C15H22N2O4/c1-9(2)17(7-5-6-12(18)19)15(21)13-10(3)8-11(4)16-14(13)20/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyGUUPFLKBAHECBZ-UHFFFAOYSA-N
XLogP1.71
TPSA90.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The IUPAC name of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid (CID 60825246) is 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid.
What is the SMILES notation for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The canonical SMILES for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid is Cc1cc(C)c(C(=O)N(CCCC(=O)O)C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
The InChIKey is GUUPFLKBAHECBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-9(2)17(7-5-6-12(18)19)15(21)13-10(3)8-11(4)16-14(13)20/h8-9H,5-7H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid?
4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid has a molecular weight of 294.35 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-propan-2-ylamino]butanoic acid is sourced from PubChem (CID 60825246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).