(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one

C11H22N2O2 — CID 171509766

IUPAC(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)C[C@@H](N)[C@H](O)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-9(12)10(14)11(15)13-5-3-4-6-13/h8-10,14H,3-7,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyYSQMRWIBDJSWPH-ZJUUUORDSA-N
MW214.31 g/mol
LogP0.34
Rot. Bonds4

About (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one

(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one (PubChem CID 171509766) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one.

Molecular Properties

Compound Name(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
PubChem CID171509766
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one
SMILESCC(C)C[C@@H](N)[C@H](O)C(=O)N1CCCC1
InChIInChI=1S/C11H22N2O2/c1-8(2)7-9(12)10(14)11(15)13-5-3-4-6-13/h8-10,14H,3-7,12H2,1-2H3/t9-,10+/m1/s1
InChIKeyYSQMRWIBDJSWPH-ZJUUUORDSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The IUPAC name of (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one (CID 171509766) is (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one.
What is the SMILES notation for (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The canonical SMILES for (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one is CC(C)C[C@@H](N)[C@H](O)C(=O)N1CCCC1.
What is the InChIKey of (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
The InChIKey is YSQMRWIBDJSWPH-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-8(2)7-9(12)10(14)11(15)13-5-3-4-6-13/h8-10,14H,3-7,12H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one?
(2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one has a molecular weight of 214.31 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-amino-2-hydroxy-5-methyl-1-pyrrolidin-1-ylhexan-1-one is sourced from PubChem (CID 171509766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).