5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one

C11H19N3O3 — CID 90330181

IUPAC5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC1NC(=O)C12CCCN2C(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C11H19N3O3/c1-6(15)8(12)9(16)14-5-3-4-11(14)7(2)13-10(11)17/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)/t6-,7?,8+,11?/m1/s1
InChIKeyNTHMZQYHSMQEKW-BQGIMQRISA-N
MW241.29 g/mol
LogP-1.43
Rot. Bonds2

About 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one

5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 90330181) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one
PubChem CID90330181
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one
SMILESCC1NC(=O)C12CCCN2C(=O)[C@@H](N)[C@@H](C)O
InChIInChI=1S/C11H19N3O3/c1-6(15)8(12)9(16)14-5-3-4-11(14)7(2)13-10(11)17/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)/t6-,7?,8+,11?/m1/s1
InChIKeyNTHMZQYHSMQEKW-BQGIMQRISA-N
XLogP-1.43
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one (CID 90330181) is 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one is CC1NC(=O)C12CCCN2C(=O)[C@@H](N)[C@@H](C)O.
What is the InChIKey of 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is NTHMZQYHSMQEKW-BQGIMQRISA-N. The full InChI is InChI=1S/C11H19N3O3/c1-6(15)8(12)9(16)14-5-3-4-11(14)7(2)13-10(11)17/h6-8,15H,3-5,12H2,1-2H3,(H,13,17)/t6-,7?,8+,11?/m1/s1.
What are the key properties of 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one?
5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 241.29 g/mol, XLogP of -1.43, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R)-2-amino-3-hydroxybutanoyl]-1-methyl-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 90330181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).