5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid

C14H17NO2 — CID 67355077

IUPAC5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyAJTFZMHSPQHRQT-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.13
Rot. Bonds3

About 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid

5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid (PubChem CID 67355077) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid.

Molecular Properties

Compound Name5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
PubChem CID67355077
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid
SMILESO=C(O)C1CC2(CC2)CN1Cc1ccccc1
InChIInChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17)
InChIKeyAJTFZMHSPQHRQT-UHFFFAOYSA-N
XLogP2.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-benzyl-5-azaspiro[2.4]heptane-6-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

8-acetyl-2-[[4-(carboxymethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56911064
8-(cyclopropanecarbonyl)-2-[(4-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56881325
1-benzyl-4,4-dimethylazetidine-2-carboxylic acid
CID 155126918
8-(3-phenylpropyl)-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56910285
[(3S)-2-benzyl-2-azaspiro[4.5]decan-3-yl]methanol
CID 168976217
8-acetyl-2-[(5-carboxyfuran-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 56901025
(3S)-8-[(3-hydroxyphenyl)methyl]-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95886223
(3R)-8-acetyl-2-[(2,6-dimethoxyphenyl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95860695
2,3-dibenzyl-2-azaspiro[4.5]decane
CID 10990798
tert-butyl 2-benzyl-3-methyl-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 23282836
2-acetyl-8-(2-phenylethyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70719914
(2S)-1-benzylpyrrolidine-2,5-dicarboxylic acid
CID 175511692

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The IUPAC name of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid (CID 67355077) is 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid.
What is the SMILES notation for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The canonical SMILES for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid is O=C(O)C1CC2(CC2)CN1Cc1ccccc1.
What is the InChIKey of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
The InChIKey is AJTFZMHSPQHRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c16-13(17)12-8-14(6-7-14)10-15(12)9-11-4-2-1-3-5-11/h1-5,12H,6-10H2,(H,16,17).
What are the key properties of 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid?
5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid has a molecular weight of 231.30 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-azaspiro[2.4]heptane-6-carboxylic acid is sourced from PubChem (CID 67355077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).