2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid

C8H13NO2 — CID 10441912

IUPAC2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCC2
InChIInChI=1S/C8H13NO2/c9-5-8(6(10)11)4-7(8)2-1-3-7/h1-5,9H2,(H,10,11)
InChIKeyOVDIEYUKKNZPEH-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.59
Rot. Bonds2

About 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid

2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid (PubChem CID 10441912) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid
PubChem CID10441912
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCC2
InChIInChI=1S/C8H13NO2/c9-5-8(6(10)11)4-7(8)2-1-3-7/h1-5,9H2,(H,10,11)
InChIKeyOVDIEYUKKNZPEH-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic 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-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid (CID 10441912) is 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid is NCC1(C(=O)O)CC12CCC2.
What is the InChIKey of 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid?
The InChIKey is OVDIEYUKKNZPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c9-5-8(6(10)11)4-7(8)2-1-3-7/h1-5,9H2,(H,10,11).
What are the key properties of 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid?
2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid has a molecular weight of 155.20 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)spiro[2.3]hexane-2-carboxylic acid is sourced from PubChem (CID 10441912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).