2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid

C14H25NO4 — CID 79894126

IUPAC2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(2)7-12(13(16)17)15-11-3-5-19-14(8-11)4-6-18-9-14/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWKJKEHPLXIXAF-UHFFFAOYSA-N
MW271.36 g/mol
LogP1.41
Rot. Bonds5

About 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid (PubChem CID 79894126) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
PubChem CID79894126
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Name2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid
SMILESCC(C)CC(NC1CCOC2(CCOC2)C1)C(=O)O
InChIInChI=1S/C14H25NO4/c1-10(2)7-12(13(16)17)15-11-3-5-19-14(8-11)4-6-18-9-14/h10-12,15H,3-9H2,1-2H3,(H,16,17)
InChIKeyCWKJKEHPLXIXAF-UHFFFAOYSA-N
XLogP1.41
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-N-(2-methylpropyl)propanamide
CID 115885270
N-butan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898146
N-(2-methylpropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79898440
2-(1,9-dioxaspiro[5.5]undecan-4-ylamino)-N-(2-methylpropyl)propanamide
CID 115733463
N-[(1S)-1-cyclohexylethyl]-2,6-dioxaspiro[4.5]decan-9-amine
CID 81384866
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-2-methylpropanoic acid
CID 79893907
N-(dicyclopropylmethyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895513
N-(1-ethoxypropan-2-yl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895528
N-heptan-2-yl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79895576
N-(2,3-dimethylbutyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 79903290
1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,4-dimethylpentan-1-ol
CID 114200597
(2R)-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)propanoic acid
CID 104875352

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid?
The IUPAC name of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid (CID 79894126) is 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid.
What is the SMILES notation for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid?
The canonical SMILES for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid is CC(C)CC(NC1CCOC2(CCOC2)C1)C(=O)O.
What is the InChIKey of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid?
The InChIKey is CWKJKEHPLXIXAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)7-12(13(16)17)15-11-3-5-19-14(8-11)4-6-18-9-14/h10-12,15H,3-9H2,1-2H3,(H,16,17).
What are the key properties of 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid?
2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid has a molecular weight of 271.36 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxaspiro[4.5]decan-9-ylamino)-4-methylpentanoic acid is sourced from PubChem (CID 79894126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).