(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide

C10H19N3O2 — CID 139379393

IUPAC(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide
SMILESCC1N([C@@H](CO)C(N)=O)CC12CCCN2
InChIInChI=1S/C10H19N3O2/c1-7-10(3-2-4-12-10)6-13(7)8(5-14)9(11)15/h7-8,12,14H,2-6H2,1H3,(H2,11,15)/t7?,8-,10?/m0/s1
InChIKeyVLBVRLACCPFVGY-ZCUBBSJVSA-N
MW213.28 g/mol
LogP-1.34
Rot. Bonds3

About (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide

(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide (PubChem CID 139379393) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide
PubChem CID139379393
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide
SMILESCC1N([C@@H](CO)C(N)=O)CC12CCCN2
InChIInChI=1S/C10H19N3O2/c1-7-10(3-2-4-12-10)6-13(7)8(5-14)9(11)15/h7-8,12,14H,2-6H2,1H3,(H2,11,15)/t7?,8-,10?/m0/s1
InChIKeyVLBVRLACCPFVGY-ZCUBBSJVSA-N
XLogP-1.34
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide?
The IUPAC name of (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide (CID 139379393) is (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide.
What is the SMILES notation for (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide?
The canonical SMILES for (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide is CC1N([C@@H](CO)C(N)=O)CC12CCCN2.
What is the InChIKey of (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide?
The InChIKey is VLBVRLACCPFVGY-ZCUBBSJVSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-7-10(3-2-4-12-10)6-13(7)8(5-14)9(11)15/h7-8,12,14H,2-6H2,1H3,(H2,11,15)/t7?,8-,10?/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide?
(2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide has a molecular weight of 213.28 g/mol, XLogP of -1.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)propanamide is sourced from PubChem (CID 139379393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).