(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid

C11H17NO3 — CID 174002395

IUPAC(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O
InChIInChI=1S/C11H17NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h8H,2-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJHXIFYROIZKFKQ-MRVPVSSYSA-N
MW211.26 g/mol
LogP1.11
Rot. Bonds2

About (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid

(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 174002395) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID174002395
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESCCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O
InChIInChI=1S/C11H17NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h8H,2-7H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyJHXIFYROIZKFKQ-MRVPVSSYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-propylsulfonylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174715
6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-[2-(3,3-dimethylbutanoylamino)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175390
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-[2-(5-methylthiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175152
6-(2-ethylsulfanyl-3-methylbutanoyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175335
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-[3-(4-ethoxyphenyl)propanoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174466
6-[2-(2-methoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119128135
6-[2-(3,4,5-trimethoxyphenyl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175386
6-[2-(5-bromothiophen-2-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175163

Frequently Asked Questions

What is the IUPAC name of (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid (CID 174002395) is (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid is CCC(=O)N1CCC2(CC1)C[C@@H]2C(=O)O.
What is the InChIKey of (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is JHXIFYROIZKFKQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-9(13)12-5-3-11(4-6-12)7-8(11)10(14)15/h8H,2-7H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid?
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 211.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 174002395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).