3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid

C18H28N2O4 — CID 69474871

IUPAC3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NCCC(=O)O)c1=O
InChIInChI=1S/C18H28N2O4/c1-4-7-11-20-15(8-5-2)13(6-3)12-14(18(20)24)17(23)19-10-9-16(21)22/h12H,4-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyLQDDPUNDTYSGJR-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.37
Rot. Bonds10

About 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid

3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid (PubChem CID 69474871) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid
PubChem CID69474871
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid
SMILESCCCCn1c(CCC)c(CC)cc(C(=O)NCCC(=O)O)c1=O
InChIInChI=1S/C18H28N2O4/c1-4-7-11-20-15(8-5-2)13(6-3)12-14(18(20)24)17(23)19-10-9-16(21)22/h12H,4-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyLQDDPUNDTYSGJR-UHFFFAOYSA-N
XLogP2.37
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid (CID 69474871) is 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid is CCCCn1c(CCC)c(CC)cc(C(=O)NCCC(=O)O)c1=O.
What is the InChIKey of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid?
The InChIKey is LQDDPUNDTYSGJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-4-7-11-20-15(8-5-2)13(6-3)12-14(18(20)24)17(23)19-10-9-16(21)22/h12H,4-11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid?
3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid has a molecular weight of 336.43 g/mol, XLogP of 2.37, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]propanoic acid is sourced from PubChem (CID 69474871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).