4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid

C17H32N2O2 — CID 63055078

IUPAC4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
SMILESCCCNC(CCN1CCC2(CCCCC2)CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-2-11-18-15(16(20)21)6-12-19-13-9-17(10-14-19)7-4-3-5-8-17/h15,18H,2-14H2,1H3,(H,20,21)
InChIKeyPRISCASXYUBVOG-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.88
Rot. Bonds7

About 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid

4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid (PubChem CID 63055078) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
PubChem CID63055078
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Name4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid
SMILESCCCNC(CCN1CCC2(CCCCC2)CC1)C(=O)O
InChIInChI=1S/C17H32N2O2/c1-2-11-18-15(16(20)21)6-12-19-13-9-17(10-14-19)7-4-3-5-8-17/h15,18H,2-14H2,1H3,(H,20,21)
InChIKeyPRISCASXYUBVOG-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid?
The IUPAC name of 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid (CID 63055078) is 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid.
What is the SMILES notation for 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid?
The canonical SMILES for 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid is CCCNC(CCN1CCC2(CCCCC2)CC1)C(=O)O.
What is the InChIKey of 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid?
The InChIKey is PRISCASXYUBVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-11-18-15(16(20)21)6-12-19-13-9-17(10-14-19)7-4-3-5-8-17/h15,18H,2-14H2,1H3,(H,20,21).
What are the key properties of 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid?
4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid has a molecular weight of 296.45 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azaspiro[5.5]undecan-3-yl)-2-(propylamino)butanoic acid is sourced from PubChem (CID 63055078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).