(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid

C11H19NO3 — CID 98089636

IUPAC(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@]2(CCN(CCO)C2)C1
InChIInChI=1S/C11H19NO3/c13-6-5-12-4-3-11(8-12)2-1-9(7-11)10(14)15/h9,13H,1-8H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyPVXFVGNZJZGZRR-GXSJLCMTSA-N
MW213.28 g/mol
LogP0.56
Rot. Bonds3

About (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid

(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 98089636) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
PubChem CID98089636
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@]2(CCN(CCO)C2)C1
InChIInChI=1S/C11H19NO3/c13-6-5-12-4-3-11(8-12)2-1-9(7-11)10(14)15/h9,13H,1-8H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyPVXFVGNZJZGZRR-GXSJLCMTSA-N
XLogP0.56
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5S,8S)-8-amino-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 98089074
2-[(5R,8R)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]ethanol
CID 97169857
(5S,8S)-2-(2-chloroacetyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 97169116
2-[2-(aminomethyl)-6-azaspiro[3.4]octan-6-yl]ethanol
CID 71649151
2-(2-aminopropanoyl)-2-azaspiro[4.4]nonane-8-carboxylic acid
CID 71633299
spiro[4.5]decane-3-carboxylic acid
CID 13443385
2-[(5S,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460683
2-[(5R,8S)-8-(chloromethyl)-2-azaspiro[4.4]nonan-2-yl]acetic acid
CID 129460684
3-(5-azaspiro[2.4]heptan-5-yl)propan-1-ol
CID 16736944
2-(2-chloroacetyl)-2-azaspiro[4.5]decane-8-carboxylic acid
CID 71649547
(5S,8S)-2-(2-aminoethyl)-2-azaspiro[4.4]nonan-8-amine
CID 129426141
2-(2-methyl-2,8-diazaspiro[4.5]decan-8-yl)ethanol
CID 71647927

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid (CID 98089636) is (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid is O=C(O)[C@H]1CC[C@@]2(CCN(CCO)C2)C1.
What is the InChIKey of (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is PVXFVGNZJZGZRR-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19NO3/c13-6-5-12-4-3-11(8-12)2-1-9(7-11)10(14)15/h9,13H,1-8H2,(H,14,15)/t9-,11+/m0/s1.
What are the key properties of (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid?
(5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-2-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 98089636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).