3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid

C16H26N2O3 — CID 63161763

IUPAC3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCC2(CCCC2)CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(20)5-10-18(13-3-4-13)15(21)17-11-8-16(9-12-17)6-1-2-7-16/h13H,1-12H2,(H,19,20)
InChIKeyLRBRXIARTIRKGG-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.70
Rot. Bonds4

About 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid

3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid (PubChem CID 63161763) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid
PubChem CID63161763
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid
SMILESO=C(O)CCN(C(=O)N1CCC2(CCCC2)CC1)C1CC1
InChIInChI=1S/C16H26N2O3/c19-14(20)5-10-18(13-3-4-13)15(21)17-11-8-16(9-12-17)6-1-2-7-16/h13H,1-12H2,(H,19,20)
InChIKeyLRBRXIARTIRKGG-UHFFFAOYSA-N
XLogP2.70
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl-(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 81115163
3-[cyclopropyl-(4-propan-2-ylpiperazine-1-carbonyl)amino]propanoic acid
CID 61200687
3-[cyclopropyl-(3,4-dimethylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 79181069
3-[cyclopropyl-(5-oxo-1,4-diazepane-1-carbonyl)amino]propanoic acid
CID 63004828
3-[cyclopropyl-(2-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188251
6-(3-azaspiro[5.5]undecan-3-yl)-6-oxohexanoic acid
CID 62936033
5-(3-azaspiro[5.5]undecan-3-yl)-5-oxopentanoic acid
CID 62936546
3-[cyclopropyl-(4-ethyl-3-methylpiperazine-1-carbonyl)amino]propanoic acid
CID 63616193
2-[cyclopropyl(piperidine-1-carbonyl)amino]acetic acid
CID 61183378
3-[cyclopropyl-(2-ethylmorpholine-4-carbonyl)amino]propanoic acid
CID 61202092
3-[acetyl(cyclopropyl)amino]propanoic acid
CID 60843836
3-[cyclopropyl-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]propanoic acid
CID 81474450

Frequently Asked Questions

What is the IUPAC name of 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid?
The IUPAC name of 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid (CID 63161763) is 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid.
What is the SMILES notation for 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid?
The canonical SMILES for 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid is O=C(O)CCN(C(=O)N1CCC2(CCCC2)CC1)C1CC1.
What is the InChIKey of 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid?
The InChIKey is LRBRXIARTIRKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c19-14(20)5-10-18(13-3-4-13)15(21)17-11-8-16(9-12-17)6-1-2-7-16/h13H,1-12H2,(H,19,20).
What are the key properties of 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid?
3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid has a molecular weight of 294.39 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-azaspiro[4.5]decane-8-carbonyl(cyclopropyl)amino]propanoic acid is sourced from PubChem (CID 63161763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).