2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid

C10H17NO2 — CID 10103844

IUPAC2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCCCC2
InChIInChI=1S/C10H17NO2/c11-7-10(8(12)13)6-9(10)4-2-1-3-5-9/h1-7,11H2,(H,12,13)
InChIKeyNZSUXZDGKUBVPB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.37
Rot. Bonds2

About 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid

2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid (PubChem CID 10103844) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid
PubChem CID10103844
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCCCC2
InChIInChI=1S/C10H17NO2/c11-7-10(8(12)13)6-9(10)4-2-1-3-5-9/h1-7,11H2,(H,12,13)
InChIKeyNZSUXZDGKUBVPB-UHFFFAOYSA-N
XLogP1.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)spiro[2.5]octane-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

Related Compounds

Gabapentin
CID 3446
Gabapentin hydrochloride
CID 6453919
1-Aminomethyl-2,2-dipropyl-cyclopropanecarboxylic acid
CID 10104216
Spiro[2.4]heptane-1-carboxylic acid, 1-(aminomethyl)-
CID 10241207
1-Aminomethyl-2-(1-ethyl-propyl)-cyclopropanecarboxylic acid
CID 10375158
1-(aminomethyl)-2-(2-methylpropyl)cyclopropane-1-carboxylic Acid
CID 10419611
1-(aminomethyl)spiro[2.3]hexane-1-carboxylic Acid
CID 10441912
2-[1-(Aminomethyl)-4-propan-2-ylcyclohexyl]acetic acid
CID 9964453
2-[1-(Aminomethyl)-2-methylcyclohexyl]acetic acid
CID 18692706
1-(Aminomethyl)cyclohexane-1-carboxylic acid hydrochloride
CID 46784064
1-(2-Aminoethyl)cyclohexane-1-carboxylic acid hydrochloride
CID 67519696
Gabapentin Impurity G
CID 69504317

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid (CID 10103844) is 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid is NCC1(C(=O)O)CC12CCCCC2.
What is the InChIKey of 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid?
The InChIKey is NZSUXZDGKUBVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c11-7-10(8(12)13)6-9(10)4-2-1-3-5-9/h1-7,11H2,(H,12,13).
What are the key properties of 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid?
2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid has a molecular weight of 183.25 g/mol, XLogP of 1.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)spiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 10103844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).