2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid

C12H21NO3 — CID 79893740

IUPAC2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid
SMILESCC(NC1CCOC2(CCCC2)C1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(11(14)15)13-10-4-7-16-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCVOWZHFQHNYWGO-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.54
Rot. Bonds3

About 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid

2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid (PubChem CID 79893740) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid
PubChem CID79893740
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid
SMILESCC(NC1CCOC2(CCCC2)C1)C(=O)O
InChIInChI=1S/C12H21NO3/c1-9(11(14)15)13-10-4-7-16-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3,(H,14,15)
InChIKeyCVOWZHFQHNYWGO-UHFFFAOYSA-N
XLogP1.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid?
The IUPAC name of 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid (CID 79893740) is 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid.
What is the SMILES notation for 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid?
The canonical SMILES for 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid is CC(NC1CCOC2(CCCC2)C1)C(=O)O.
What is the InChIKey of 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid?
The InChIKey is CVOWZHFQHNYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-9(11(14)15)13-10-4-7-16-12(8-10)5-2-3-6-12/h9-10,13H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid?
2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid has a molecular weight of 227.30 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.5]decan-9-ylamino)propanoic acid is sourced from PubChem (CID 79893740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).