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

C11H21N3O2 — CID 139379355

IUPAC(2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
SMILESCC1N([C@H](C(N)=O)[C@@H](C)O)CC12CCCN2
InChIInChI=1S/C11H21N3O2/c1-7(15)9(10(12)16)14-6-11(8(14)2)4-3-5-13-11/h7-9,13,15H,3-6H2,1-2H3,(H2,12,16)/t7-,8?,9+,11?/m1/s1
InChIKeyXNKFCJRQWVUGJA-AZPRYWSXSA-N
MW227.31 g/mol
LogP-0.95
Rot. Bonds3

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

(2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide (PubChem CID 139379355) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide.

Molecular Properties

Compound Name(2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
PubChem CID139379355
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name(2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide
SMILESCC1N([C@H](C(N)=O)[C@@H](C)O)CC12CCCN2
InChIInChI=1S/C11H21N3O2/c1-7(15)9(10(12)16)14-6-11(8(14)2)4-3-5-13-11/h7-9,13,15H,3-6H2,1-2H3,(H2,12,16)/t7-,8?,9+,11?/m1/s1
InChIKeyXNKFCJRQWVUGJA-AZPRYWSXSA-N
XLogP-0.95
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The IUPAC name of (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide (CID 139379355) is (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide.
What is the SMILES notation for (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The canonical SMILES for (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide is CC1N([C@H](C(N)=O)[C@@H](C)O)CC12CCCN2.
What is the InChIKey of (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
The InChIKey is XNKFCJRQWVUGJA-AZPRYWSXSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-7(15)9(10(12)16)14-6-11(8(14)2)4-3-5-13-11/h7-9,13,15H,3-6H2,1-2H3,(H2,12,16)/t7-,8?,9+,11?/m1/s1.
What are the key properties of (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide?
(2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide has a molecular weight of 227.31 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-hydroxy-2-(3-methyl-2,5-diazaspiro[3.4]octan-2-yl)butanamide is sourced from PubChem (CID 139379355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).