3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid

C19H25NO3 — CID 126833634

IUPAC3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H25NO3/c21-17(22)9-8-15-6-2-3-7-16(15)18(23)20-13-12-19(14-20)10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-14H2,(H,21,22)
InChIKeyPFGRBRNESOUXSU-UHFFFAOYSA-N
MW315.41 g/mol
LogP3.50
Rot. Bonds4

About 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid

3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid (PubChem CID 126833634) has the molecular formula C19H25NO3 and a molecular weight of 315.41 g/mol. Its IUPAC name is 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid
PubChem CID126833634
Molecular FormulaC19H25NO3
Molecular Weight315.41 g/mol
Exact Mass315.18
IUPAC Name3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid
SMILESO=C(O)CCc1ccccc1C(=O)N1CCC2(CCCCC2)C1
InChIInChI=1S/C19H25NO3/c21-17(22)9-8-15-6-2-3-7-16(15)18(23)20-13-12-19(14-20)10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-14H2,(H,21,22)
InChIKeyPFGRBRNESOUXSU-UHFFFAOYSA-N
XLogP3.50
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-pyrrol-1-ylbenzoyl)-2,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97407738
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
2-[2-(2-azaspiro[3.3]heptan-2-yl)ethyl]benzoic acid
CID 79694989
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
[4-(aminomethyl)phenyl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 119335964
(2-bromophenyl)-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)methanone
CID 112534290
3-(2-carbonochloridoylphenyl)propanoic acid
CID 45081979
6-azaspiro[3.4]octan-6-yl-(1-methyl-5-phenylpyrazol-4-yl)methanone
CID 100903578
1-(2-azaspiro[4.5]decan-2-yl)-2-[1-(2-phenylacetyl)piperidin-4-yl]ethanone
CID 92633604
[2-(2-aminoethyl)phenyl]-(4,4-dimethylazepan-1-yl)methanone
CID 65280889
1-(2-ethylbenzoyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106982531
3-amino-1-(2-azaspiro[4.5]decan-2-yl)propan-1-one
CID 83628810

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid?
The IUPAC name of 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid (CID 126833634) is 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid.
What is the SMILES notation for 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid?
The canonical SMILES for 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid is O=C(O)CCc1ccccc1C(=O)N1CCC2(CCCCC2)C1.
What is the InChIKey of 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid?
The InChIKey is PFGRBRNESOUXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO3/c21-17(22)9-8-15-6-2-3-7-16(15)18(23)20-13-12-19(14-20)10-4-1-5-11-19/h2-3,6-7H,1,4-5,8-14H2,(H,21,22).
What are the key properties of 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid?
3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid has a molecular weight of 315.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-azaspiro[4.5]decane-2-carbonyl)phenyl]propanoic acid is sourced from PubChem (CID 126833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).