2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid

C16H29NO2 — CID 122128209

IUPAC2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC1CC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,14(18)19)12-17-13-10-15(11-13)8-6-5-7-9-15/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyGKKIMGBDCYCEDK-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.58
Rot. Bonds6

About 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid

2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid (PubChem CID 122128209) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid
PubChem CID122128209
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid
SMILESCCC(CC)(CNC1CC2(CCCCC2)C1)C(=O)O
InChIInChI=1S/C16H29NO2/c1-3-16(4-2,14(18)19)12-17-13-10-15(11-13)8-6-5-7-9-15/h13,17H,3-12H2,1-2H3,(H,18,19)
InChIKeyGKKIMGBDCYCEDK-UHFFFAOYSA-N
XLogP3.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid?
The IUPAC name of 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid (CID 122128209) is 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid is CCC(CC)(CNC1CC2(CCCCC2)C1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid?
The InChIKey is GKKIMGBDCYCEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-3-16(4-2,14(18)19)12-17-13-10-15(11-13)8-6-5-7-9-15/h13,17H,3-12H2,1-2H3,(H,18,19).
What are the key properties of 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid?
2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid has a molecular weight of 267.41 g/mol, XLogP of 3.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(spiro[3.5]nonan-2-ylamino)methyl]butanoic acid is sourced from PubChem (CID 122128209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).