(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid

C11H20N2O3 — CID 146242695

IUPAC(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN[C@H](CCO)C2
InChIInChI=1S/C11H20N2O3/c14-6-1-9-7-11(8-12-9)2-4-13(5-3-11)10(15)16/h9,12,14H,1-8H2,(H,15,16)/t9-/m1/s1
InChIKeyJYXXZOGUTAOMKS-SECBINFHSA-N
MW228.29 g/mol
LogP0.49
Rot. Bonds2

About (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid

(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid (PubChem CID 146242695) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid
PubChem CID146242695
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid
SMILESO=C(O)N1CCC2(CC1)CN[C@H](CCO)C2
InChIInChI=1S/C11H20N2O3/c14-6-1-9-7-11(8-12-9)2-4-13(5-3-11)10(15)16/h9,12,14H,1-8H2,(H,15,16)/t9-/m1/s1
InChIKeyJYXXZOGUTAOMKS-SECBINFHSA-N
XLogP0.49
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The IUPAC name of (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid (CID 146242695) is (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid is O=C(O)N1CCC2(CC1)CN[C@H](CCO)C2.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
The InChIKey is JYXXZOGUTAOMKS-SECBINFHSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-6-1-9-7-11(8-12-9)2-4-13(5-3-11)10(15)16/h9,12,14H,1-8H2,(H,15,16)/t9-/m1/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid?
(3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid has a molecular weight of 228.29 g/mol, XLogP of 0.49, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxylic acid is sourced from PubChem (CID 146242695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).