2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid

C17H30N2O2 — CID 114820667

IUPAC2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(16(20)21)18-10-12-19(13-11-18)15-4-8-17(9-5-15)6-2-3-7-17/h14-15H,2-13H2,1H3,(H,20,21)
InChIKeyBALGAASJEDYPEX-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.58
Rot. Bonds3

About 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid

2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid (PubChem CID 114820667) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
PubChem CID114820667
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid
SMILESCC(C(=O)O)N1CCN(C2CCC3(CCCC3)CC2)CC1
InChIInChI=1S/C17H30N2O2/c1-14(16(20)21)18-10-12-19(13-11-18)15-4-8-17(9-5-15)6-2-3-7-17/h14-15H,2-13H2,1H3,(H,20,21)
InChIKeyBALGAASJEDYPEX-UHFFFAOYSA-N
XLogP2.58
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 121201886
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CID 79686519
2-[4-(2,6-dimethylcyclohexyl)piperazin-1-yl]propanoic acid
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2-(4-propan-2-ylpiperazin-1-yl)propanoic acid
CID 43585425
2-(3-piperidin-1-ylazetidin-1-yl)propanoic acid
CID 83835259
2-[4-(5,5-dimethylthian-3-yl)piperazin-1-yl]propanoic acid
CID 79946405
3-(4-cyclopropylpiperazin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79647686
2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 45074903
(2R)-2-pyrrolidin-1-ylpropanoic acid;hydrochloride
CID 127263393
2-[4-(1-cyclopropylethyl)piperazin-1-yl]propanoic acid
CID 65062404
9-(azetidin-1-yl)-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66701001
(2R)-2-(4,4-difluoropiperidin-1-yl)propanoic acid
CID 129463029

Frequently Asked Questions

What is the IUPAC name of 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid?
The IUPAC name of 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid (CID 114820667) is 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid?
The canonical SMILES for 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid is CC(C(=O)O)N1CCN(C2CCC3(CCCC3)CC2)CC1.
What is the InChIKey of 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid?
The InChIKey is BALGAASJEDYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-14(16(20)21)18-10-12-19(13-11-18)15-4-8-17(9-5-15)6-2-3-7-17/h14-15H,2-13H2,1H3,(H,20,21).
What are the key properties of 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid?
2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid has a molecular weight of 294.44 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-spiro[4.5]decan-8-ylpiperazin-1-yl)propanoic acid is sourced from PubChem (CID 114820667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).