2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid

C9H15NO2 — CID 10241207

IUPAC2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCCC2
InChIInChI=1S/C9H15NO2/c10-6-9(7(11)12)5-8(9)3-1-2-4-8/h1-6,10H2,(H,11,12)
InChIKeyOOVXSRNSUMYRGO-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.98
Rot. Bonds2

About 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid

2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid (PubChem CID 10241207) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid
PubChem CID10241207
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid
SMILESNCC1(C(=O)O)CC12CCCC2
InChIInChI=1S/C9H15NO2/c10-6-9(7(11)12)5-8(9)3-1-2-4-8/h1-6,10H2,(H,11,12)
InChIKeyOOVXSRNSUMYRGO-UHFFFAOYSA-N
XLogP0.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Gababutin
CID 9898895
1-(aminomethyl)spiro[2.5]octane-1-carboxylic Acid
CID 10103844
1-Aminomethyl-2,2-dipropyl-cyclopropanecarboxylic acid
CID 10104216
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
1-(Aminomethyl)cyclohexane-1-carboxylic acid
CID 13984308
3-Amino-2-(cyclopentylmethyl)propanoic acid hydrochloride
CID 54593669
Methyl 1-(aminomethyl)spiro(2.4)heptane-1-carboxylate
CID 11298342
3-Amino-2-(cyclopentylmethyl)propanoic acid
CID 54593670
2-(Aminomethyl)-2-cyclopentyl-3-fluoropropanoic acid
CID 105443603
2-(Aminomethyl)-2-cyclopentyl-3-fluorobutanoic acid
CID 105455433

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid?
The IUPAC name of 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid (CID 10241207) is 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid is NCC1(C(=O)O)CC12CCCC2.
What is the InChIKey of 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid?
The InChIKey is OOVXSRNSUMYRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c10-6-9(7(11)12)5-8(9)3-1-2-4-8/h1-6,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid?
2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid has a molecular weight of 169.22 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)spiro[2.4]heptane-2-carboxylic acid is sourced from PubChem (CID 10241207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).