(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

C9H15NO3 — CID 137462541

IUPAC(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC[C@@]2(CCCOC2)C1
InChIInChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12)/t9-/m0/s1
InChIKeyLZBRTCFJJHXCIN-VIFPVBQESA-N
MW185.22 g/mol
LogP1.17
Rot. Bonds

About (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid

(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (PubChem CID 137462541) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
PubChem CID137462541
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid
SMILESO=C(O)N1CC[C@@]2(CCCOC2)C1
InChIInChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12)/t9-/m0/s1
InChIKeyLZBRTCFJJHXCIN-VIFPVBQESA-N
XLogP1.17
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The IUPAC name of (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid (CID 137462541) is (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid.
What is the SMILES notation for (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The canonical SMILES for (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is O=C(O)N1CC[C@@]2(CCCOC2)C1.
What is the InChIKey of (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
The InChIKey is LZBRTCFJJHXCIN-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO3/c11-8(12)10-4-3-9(6-10)2-1-5-13-7-9/h1-7H2,(H,11,12)/t9-/m0/s1.
What are the key properties of (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid?
(5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid has a molecular weight of 185.22 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-7-oxa-2-azaspiro[4.5]decane-2-carboxylic acid is sourced from PubChem (CID 137462541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).