(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide

C9H17N3O2 — CID 139370883

IUPAC(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)N1CC2(CCCN2)C1
InChIInChI=1S/C9H17N3O2/c10-8(14)7(4-13)12-5-9(6-12)2-1-3-11-9/h7,11,13H,1-6H2,(H2,10,14)/t7-/m0/s1
InChIKeyAHXCLAQCUYFSSR-ZETCQYMHSA-N
MW199.25 g/mol
LogP-1.73
Rot. Bonds3

About (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide

(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide (PubChem CID 139370883) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide
PubChem CID139370883
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide
SMILESNC(=O)[C@H](CO)N1CC2(CCCN2)C1
InChIInChI=1S/C9H17N3O2/c10-8(14)7(4-13)12-5-9(6-12)2-1-3-11-9/h7,11,13H,1-6H2,(H2,10,14)/t7-/m0/s1
InChIKeyAHXCLAQCUYFSSR-ZETCQYMHSA-N
XLogP-1.73
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-1.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide?
The IUPAC name of (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide (CID 139370883) is (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide.
What is the SMILES notation for (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide?
The canonical SMILES for (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide is NC(=O)[C@H](CO)N1CC2(CCCN2)C1.
What is the InChIKey of (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide?
The InChIKey is AHXCLAQCUYFSSR-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H17N3O2/c10-8(14)7(4-13)12-5-9(6-12)2-1-3-11-9/h7,11,13H,1-6H2,(H2,10,14)/t7-/m0/s1.
What are the key properties of (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide?
(2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide has a molecular weight of 199.25 g/mol, XLogP of -1.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxypropanamide is sourced from PubChem (CID 139370883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).