2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid

C15H19NO2 — CID 79694989

IUPAC2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCN1CC2(CCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(18)13-5-2-1-4-12(13)6-9-16-10-15(11-16)7-3-8-15/h1-2,4-5H,3,6-11H2,(H,17,18)
InChIKeyKCYFHBNRRMMNAC-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.41
Rot. Bonds4

About 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid

2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid (PubChem CID 79694989) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid
PubChem CID79694989
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid
SMILESO=C(O)c1ccccc1CCN1CC2(CCC2)C1
InChIInChI=1S/C15H19NO2/c17-14(18)13-5-2-1-4-12(13)6-9-16-10-15(11-16)7-3-8-15/h1-2,4-5H,3,6-11H2,(H,17,18)
InChIKeyKCYFHBNRRMMNAC-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic 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

2-[2-[methyl(2-pyrrolidin-1-ylethyl)amino]ethyl]benzoic acid
CID 104548782
2-(4-piperazin-1-ylbutyl)benzoic acid
CID 83954010
(3R)-8-[(2-carboxyphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95724104
3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid
CID 126833634
2-[2-(3,3-dimethylpiperidin-1-yl)-2-oxoethyl]benzoic acid
CID 115923844
2-[[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methyl]benzoic acid
CID 107223479
2-[2-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]benzoic acid
CID 167773817
2-[3-oxo-3-(spiro[2.5]octan-2-ylamino)propyl]benzoic acid
CID 120692338
2-[2-(2-azaspiro[3.4]octan-2-yl)ethyl]-1,3-thiazole-4-carboxylic acid
CID 79689749
2-[2-(2-chlorophenyl)ethyl]benzoic acid
CID 70516593
2-(3-fluoropropyl)benzoic acid
CID 83856062
2-(3-amino-3-oxopropyl)benzoic acid
CID 19261660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid?
The IUPAC name of 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid (CID 79694989) is 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid?
The canonical SMILES for 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid is O=C(O)c1ccccc1CCN1CC2(CCC2)C1.
What is the InChIKey of 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid?
The InChIKey is KCYFHBNRRMMNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14(18)13-5-2-1-4-12(13)6-9-16-10-15(11-16)7-3-8-15/h1-2,4-5H,3,6-11H2,(H,17,18).
What are the key properties of 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid?
2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid has a molecular weight of 245.32 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid is sourced from PubChem (CID 79694989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).