2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid

C15H27NO3 — CID 79894511

IUPAC2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27NO3/c1-3-12(2)16(11-14(17)18)13-6-9-19-15(10-13)7-4-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDQXSQJMIGCFVNV-UHFFFAOYSA-N
MW269.38 g/mol
LogP2.66
Rot. Bonds5

About 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid

2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid (PubChem CID 79894511) has the molecular formula C15H27NO3 and a molecular weight of 269.38 g/mol. Its IUPAC name is 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
PubChem CID79894511
Molecular FormulaC15H27NO3
Molecular Weight269.38 g/mol
Exact Mass269.20
IUPAC Name2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
SMILESCCC(C)N(CC(=O)O)C1CCOC2(CCCC2)C1
InChIInChI=1S/C15H27NO3/c1-3-12(2)16(11-14(17)18)13-6-9-19-15(10-13)7-4-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18)
InChIKeyDQXSQJMIGCFVNV-UHFFFAOYSA-N
XLogP2.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.38
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic 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-[carboxymethyl(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 79894522
2-[2,6-dioxaspiro[4.5]decan-9-yl(propan-2-yl)amino]acetic acid
CID 79894733
2-[methyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79894267
2-[cyclopropyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894047
2-[carboxymethyl(5-oxaspiro[3.5]nonan-8-yl)amino]acetic acid
CID 79893758
2-[5-oxaspiro[3.5]nonan-8-yl(propyl)amino]acetic acid
CID 79894587
2-[methyl(6-oxaspiro[4.5]decan-9-yl)amino]butanoic acid
CID 79893899
2-[cyclopropylmethyl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid
CID 79894349
2-[(2-amino-2-oxoethyl)-(1-oxaspiro[5.5]undecan-4-yl)amino]acetic acid
CID 107440798
2-[1-oxaspiro[5.5]undecan-4-yl(pentan-3-yl)amino]ethanol
CID 79919415
2-methyl-3-[methyl(1-oxaspiro[5.5]undecan-4-yl)amino]propanoic acid
CID 79894051
2-[5-oxaspiro[3.5]nonan-8-yl(pentan-3-yl)amino]ethanol
CID 79919992

Frequently Asked Questions

What is the IUPAC name of 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The IUPAC name of 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid (CID 79894511) is 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid.
What is the SMILES notation for 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The canonical SMILES for 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid is CCC(C)N(CC(=O)O)C1CCOC2(CCCC2)C1.
What is the InChIKey of 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
The InChIKey is DQXSQJMIGCFVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO3/c1-3-12(2)16(11-14(17)18)13-6-9-19-15(10-13)7-4-5-8-15/h12-13H,3-11H2,1-2H3,(H,17,18).
What are the key properties of 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid?
2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid has a molecular weight of 269.38 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butan-2-yl(6-oxaspiro[4.5]decan-9-yl)amino]acetic acid is sourced from PubChem (CID 79894511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).