2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid

C13H24N2O4 — CID 102963015

IUPAC2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N1CCCC(OC)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-9(2)11(12(16)17)14-13(18)15-7-5-6-10(8-15)19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYUJBRENZAJKHFY-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid

2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid (PubChem CID 102963015) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
PubChem CID102963015
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid
SMILESCCC(C)C(NC(=O)N1CCCC(OC)C1)C(=O)O
InChIInChI=1S/C13H24N2O4/c1-4-9(2)11(12(16)17)14-13(18)15-7-5-6-10(8-15)19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyYUJBRENZAJKHFY-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The IUPAC name of 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid (CID 102963015) is 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid is CCC(C)C(NC(=O)N1CCCC(OC)C1)C(=O)O.
What is the InChIKey of 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
The InChIKey is YUJBRENZAJKHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-4-9(2)11(12(16)17)14-13(18)15-7-5-6-10(8-15)19-3/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid?
2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid has a molecular weight of 272.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxypiperidine-1-carbonyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 102963015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).