4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid

C15H26N2O4 — CID 103159355

IUPAC4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-12(10-13(18)19)11-16-14(20)17-8-6-15(7-9-17)4-2-3-5-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyPZCNUXAWUXPUBE-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.84
Rot. Bonds5

About 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid

4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid (PubChem CID 103159355) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid.

Molecular Properties

Compound Name4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
PubChem CID103159355
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid
SMILESCOC(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-12(10-13(18)19)11-16-14(20)17-8-6-15(7-9-17)4-2-3-5-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19)
InChIKeyPZCNUXAWUXPUBE-UHFFFAOYSA-N
XLogP1.84
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-4-[[4-(2-methylpropyl)piperazine-1-carbonyl]amino]butanoic acid
CID 103159285
4-[(4-cyclopropylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103158808
3-methoxy-4-[(4-propan-2-ylazepane-1-carbonyl)amino]butanoic acid
CID 103159491
4-[[4-(1-hydroxyethyl)piperidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 106836750
3-methoxy-4-[(3-methoxycarbonylpyrrolidine-1-carbonyl)amino]butanoic acid
CID 103159678
4-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-3-methoxybutanoic acid
CID 103160120
3-methoxy-4-[(2-methylthiomorpholine-4-carbonyl)amino]butanoic acid
CID 103160015
3-methoxy-4-[(1-methylcyclopropyl)carbamoylamino]butanoic acid
CID 103159981
4-[[3-(diethylamino)pyrrolidine-1-carbonyl]amino]-3-methoxybutanoic acid
CID 103159359
3-methoxy-4-[(3-methoxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 103160151
4-[(4-ethyl-3-methylpiperazine-1-carbonyl)amino]-3-methoxybutanoic acid
CID 103159409
4-[[1-(aminomethyl)cyclohexanecarbonyl]amino]-3-methoxybutanoic acid
CID 103157255

Frequently Asked Questions

What is the IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid?
The IUPAC name of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid (CID 103159355) is 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid.
What is the SMILES notation for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid?
The canonical SMILES for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid is COC(CNC(=O)N1CCC2(CCCC2)CC1)CC(=O)O.
What is the InChIKey of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid?
The InChIKey is PZCNUXAWUXPUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-12(10-13(18)19)11-16-14(20)17-8-6-15(7-9-17)4-2-3-5-15/h12H,2-11H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid?
4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid has a molecular weight of 298.38 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-azaspiro[4.5]decane-8-carbonylamino)-3-methoxybutanoic acid is sourced from PubChem (CID 103159355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).