5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid

C14H24N2O3 — CID 104685675

IUPAC5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1CC12CCNCC2)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(13(18)19)3-2-6-16-12(17)11-9-14(11)4-7-15-8-5-14/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGUZPFLCHYHTJDT-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.99
Rot. Bonds6

About 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid

5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid (PubChem CID 104685675) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid.

Molecular Properties

Compound Name5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid
PubChem CID104685675
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid
SMILESCC(CCCNC(=O)C1CC12CCNCC2)C(=O)O
InChIInChI=1S/C14H24N2O3/c1-10(13(18)19)3-2-6-16-12(17)11-9-14(11)4-7-15-8-5-14/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19)
InChIKeyGUZPFLCHYHTJDT-UHFFFAOYSA-N
XLogP0.99
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid?
The IUPAC name of 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid (CID 104685675) is 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid.
What is the SMILES notation for 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid?
The canonical SMILES for 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid is CC(CCCNC(=O)C1CC12CCNCC2)C(=O)O.
What is the InChIKey of 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid?
The InChIKey is GUZPFLCHYHTJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-10(13(18)19)3-2-6-16-12(17)11-9-14(11)4-7-15-8-5-14/h10-11,15H,2-9H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid?
5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 0.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-azaspiro[2.5]octane-2-carbonylamino)-2-methylpentanoic acid is sourced from PubChem (CID 104685675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).