2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid

C11H19NO2 — CID 10012945

IUPAC2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid
SMILESCC1CCCC2(C1)CC2(CN)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8-3-2-4-10(5-8)6-11(10,7-12)9(13)14/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyMKDOMRAWQPNCMZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.62
Rot. Bonds2

About 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid

2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid (PubChem CID 10012945) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid
PubChem CID10012945
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid
SMILESCC1CCCC2(C1)CC2(CN)C(=O)O
InChIInChI=1S/C11H19NO2/c1-8-3-2-4-10(5-8)6-11(10,7-12)9(13)14/h8H,2-7,12H2,1H3,(H,13,14)
InChIKeyMKDOMRAWQPNCMZ-UHFFFAOYSA-N
XLogP1.62
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(aminomethyl)-7-methylspiro[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

1,3-dimethylcyclohexane-1-carboxylic acid;gallane
CID 173230455
2-[1-(aminomethyl)-3-methylcyclohexyl]acetic acid;hydrochloride
CID 45260252
2-(aminomethyl)-6-thiaspiro[2.5]octane-2-carboxylic acid
CID 84670228
cis-(1S,3S)-1-(aminomethyl)-3-methylcyclohexan-1-ol
CID 25015095
1-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylcyclopentan-1-ol
CID 79123958
1,3-dimethylcyclohexane-1-carboxamide
CID 71434485
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
methyl N-[1-(aminomethyl)-3-methylcyclohexyl]carbamate
CID 63766942
[(3R)-1-(acetyloxymethyl)-3-methylcyclohexyl]methyl acetate
CID 168973953
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-methylpropanamide
CID 63753681
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
1-[(3-amino-2-methylpropanoyl)amino]-3-methylcyclohexane-1-carboxylic acid
CID 62668574

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid (CID 10012945) is 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid is CC1CCCC2(C1)CC2(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid?
The InChIKey is MKDOMRAWQPNCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-3-2-4-10(5-8)6-11(10,7-12)9(13)14/h8H,2-7,12H2,1H3,(H,13,14).
What are the key properties of 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid?
2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid has a molecular weight of 197.28 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-7-methylspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 10012945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).