1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid

C13H21NO3 — CID 79893687

IUPAC1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C13H21NO3/c15-11(16)13(6-7-13)14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H,15,16)
InChIKeyUOVDUIKPLGJBPA-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.68
Rot. Bonds3

About 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid

1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid (PubChem CID 79893687) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
PubChem CID79893687
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(NC2CCOC3(CCCC3)C2)CC1
InChIInChI=1S/C13H21NO3/c15-11(16)13(6-7-13)14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H,15,16)
InChIKeyUOVDUIKPLGJBPA-UHFFFAOYSA-N
XLogP1.68
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid (CID 79893687) is 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid is O=C(O)C1(NC2CCOC3(CCCC3)C2)CC1.
What is the InChIKey of 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
The InChIKey is UOVDUIKPLGJBPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c15-11(16)13(6-7-13)14-10-3-8-17-12(9-10)4-1-2-5-12/h10,14H,1-9H2,(H,15,16).
What are the key properties of 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid?
1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid has a molecular weight of 239.31 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxaspiro[4.5]decan-9-ylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 79893687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).