3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid

C17H26N2O4 — CID 120532497

IUPAC3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCC(C)Oc1cc(C(=O)NC(CC)(CC)CC(=O)O)ccn1
InChIInChI=1S/C17H26N2O4/c1-5-12(4)23-14-10-13(8-9-18-14)16(22)19-17(6-2,7-3)11-15(20)21/h8-10,12H,5-7,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyNIECOTYHTKBJMH-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.02
Rot. Bonds9

About 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid

3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid (PubChem CID 120532497) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid
PubChem CID120532497
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCC(C)Oc1cc(C(=O)NC(CC)(CC)CC(=O)O)ccn1
InChIInChI=1S/C17H26N2O4/c1-5-12(4)23-14-10-13(8-9-18-14)16(22)19-17(6-2,7-3)11-15(20)21/h8-10,12H,5-7,11H2,1-4H3,(H,19,22)(H,20,21)
InChIKeyNIECOTYHTKBJMH-UHFFFAOYSA-N
XLogP3.02
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid?
The IUPAC name of 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid (CID 120532497) is 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid.
What is the SMILES notation for 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid?
The canonical SMILES for 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid is CCC(C)Oc1cc(C(=O)NC(CC)(CC)CC(=O)O)ccn1.
What is the InChIKey of 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid?
The InChIKey is NIECOTYHTKBJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-5-12(4)23-14-10-13(8-9-18-14)16(22)19-17(6-2,7-3)11-15(20)21/h8-10,12H,5-7,11H2,1-4H3,(H,19,22)(H,20,21).
What are the key properties of 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid?
3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid has a molecular weight of 322.41 g/mol, XLogP of 3.02, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-butan-2-yloxypyridine-4-carbonyl)amino]-3-ethylpentanoic acid is sourced from PubChem (CID 120532497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).