1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid

C16H26N2O3 — CID 115446802

IUPAC1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-13(20)16(6-3-7-16)12-17-14(21)18-10-8-15(9-11-18)4-1-2-5-15/h1-12H2,(H,17,21)(H,19,20)
InChIKeyRGKXSAQMVGQMGU-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.61
Rot. Bonds3

About 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid

1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115446802) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115446802
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N1CCC2(CCCC2)CC1
InChIInChI=1S/C16H26N2O3/c19-13(20)16(6-3-7-16)12-17-14(21)18-10-8-15(9-11-18)4-1-2-5-15/h1-12H2,(H,17,21)(H,19,20)
InChIKeyRGKXSAQMVGQMGU-UHFFFAOYSA-N
XLogP2.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[(4-acetyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446651
1-[[(4-methyl-1,4-diazepane-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115446252
1-[(1,4-diazepane-1-carbonylamino)methyl]cyclopentane-1-carboxylic acid
CID 115434085
1-[[(4-ethylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434102
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113335992
4-[(morpholine-4-carbonylamino)methyl]oxane-4-carboxylic acid
CID 113310020
1-[(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 115560963
1-[[(4-aminopiperidine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115451319
1-[[(3-aminopiperidine-1-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115444749
1-[[(3,4-dimethylpiperazine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115434335
1-[[(2,2-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113311419
1-[[(4-propan-2-ylpiperazine-1-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312419

Frequently Asked Questions

What is the IUPAC name of 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid (CID 115446802) is 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)N1CCC2(CCCC2)CC1.
What is the InChIKey of 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is RGKXSAQMVGQMGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-13(20)16(6-3-7-16)12-17-14(21)18-10-8-15(9-11-18)4-1-2-5-15/h1-12H2,(H,17,21)(H,19,20).
What are the key properties of 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(8-azaspiro[4.5]decane-8-carbonylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115446802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).