6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C20H27NO3 — CID 119175638

IUPAC6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(C)C(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-14(2)17(15-7-5-4-6-8-15)18(22)21-11-9-20(10-12-21)13-16(20)19(23)24/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,23,24)
InChIKeyWVJDRKMVVOZSGJ-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.53
Rot. Bonds5

About 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 119175638) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID119175638
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(C)C(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1
InChIInChI=1S/C20H27NO3/c1-3-14(2)17(15-7-5-4-6-8-15)18(22)21-11-9-20(10-12-21)13-16(20)19(23)24/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,23,24)
InChIKeyWVJDRKMVVOZSGJ-UHFFFAOYSA-N
XLogP3.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methoxy-2-phenylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174526
2-[1-(3-methyl-2-phenylpentanoyl)azetidin-3-yl]acetic acid
CID 64604181
1-(3-bromopyrrolidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 80677803
4-(3-methyl-2-phenylpentanoyl)morpholine-2-carbonitrile
CID 78967635
1-(1,4-diazepan-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 119414979
1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one
CID 114501404
1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 62372521
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-methyl-2-phenylpentan-1-one;hydrochloride
CID 120819474
(5S)-7-[(2R,3S)-3-methyl-2-phenylpentanoyl]-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 98767916
6-[2-(3,4-dichlorophenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175536
6-(2-ethylsulfanyl-3-methylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175335
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-methyl-2-phenylpentan-1-one
CID 61410735

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 119175638) is 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is CCC(C)C(C(=O)N1CCC2(CC1)CC2C(=O)O)c1ccccc1.
What is the InChIKey of 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is WVJDRKMVVOZSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO3/c1-3-14(2)17(15-7-5-4-6-8-15)18(22)21-11-9-20(10-12-21)13-16(20)19(23)24/h4-8,14,16-17H,3,9-13H2,1-2H3,(H,23,24).
What are the key properties of 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 329.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2-phenylpentanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 119175638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).