8-acetamidospiro[4.5]decane-8-carboxylic acid

C13H21NO3 — CID 114818426

IUPAC8-acetamidospiro[4.5]decane-8-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H21NO3/c1-10(15)14-13(11(16)17)8-6-12(7-9-13)4-2-3-5-12/h2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyFUAFGJBDQLCIIA-UHFFFAOYSA-N
MW239.31 g/mol
LogP2.08
Rot. Bonds2

About 8-acetamidospiro[4.5]decane-8-carboxylic acid

8-acetamidospiro[4.5]decane-8-carboxylic acid (PubChem CID 114818426) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 8-acetamidospiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name8-acetamidospiro[4.5]decane-8-carboxylic acid
PubChem CID114818426
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name8-acetamidospiro[4.5]decane-8-carboxylic acid
SMILESCC(=O)NC1(C(=O)O)CCC2(CCCC2)CC1
InChIInChI=1S/C13H21NO3/c1-10(15)14-13(11(16)17)8-6-12(7-9-13)4-2-3-5-12/h2-9H2,1H3,(H,14,15)(H,16,17)
InChIKeyFUAFGJBDQLCIIA-UHFFFAOYSA-N
XLogP2.08
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63702401
N-(1-acetylcyclobutyl)acetamide
CID 59658507
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CID 114818360
1-(sulfanylcarbonylamino)cyclopropane-1-carboxylic acid
CID 142872686
N-[1-(2-chloroacetyl)cyclopentyl]acetamide
CID 104701020
1-acetamidocyclobutane-1-carboxamide
CID 58720910
[(1R,2R)-1,2-diacetamido-2-(carboxyamino)cyclohexyl]carbamic acid
CID 87424561
N-[1-(2-methylpropanoyl)cyclopropyl]acetamide
CID 176582512
1-[(2,2-dimethylcyclohexyl)carbamoylamino]cyclopropane-1-carboxylic acid
CID 79878705
1-[[(Z)-2-methylbut-2-enoyl]amino]cyclobutane-1-carboxylic acid
CID 115910158
2-[(1-acetamidocyclopropanecarbonyl)amino]acetic acid
CID 167721509
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421

Frequently Asked Questions

What is the IUPAC name of 8-acetamidospiro[4.5]decane-8-carboxylic acid?
The IUPAC name of 8-acetamidospiro[4.5]decane-8-carboxylic acid (CID 114818426) is 8-acetamidospiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for 8-acetamidospiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for 8-acetamidospiro[4.5]decane-8-carboxylic acid is CC(=O)NC1(C(=O)O)CCC2(CCCC2)CC1.
What is the InChIKey of 8-acetamidospiro[4.5]decane-8-carboxylic acid?
The InChIKey is FUAFGJBDQLCIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-10(15)14-13(11(16)17)8-6-12(7-9-13)4-2-3-5-12/h2-9H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 8-acetamidospiro[4.5]decane-8-carboxylic acid?
8-acetamidospiro[4.5]decane-8-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-acetamidospiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 114818426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).