(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one

C11H20N2O — CID 10774283

IUPAC(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-5,9-10H,3,6-8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyJQIKQYOPMLBMRB-UWVGGRQHSA-N
MW196.29 g/mol
LogP1.15
Rot. Bonds3

About (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one

(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one (PubChem CID 10774283) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one
PubChem CID10774283
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CC=CCC1
InChIInChI=1S/C11H20N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-5,9-10H,3,6-8,12H2,1-2H3/t9-,10-/m0/s1
InChIKeyJQIKQYOPMLBMRB-UWVGGRQHSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one (CID 10774283) is (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CC=CCC1.
What is the InChIKey of (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one?
The InChIKey is JQIKQYOPMLBMRB-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-9(2)10(12)11(14)13-7-5-4-6-8-13/h4-5,9-10H,3,6-8,12H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one?
(2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one has a molecular weight of 196.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-(3,6-dihydro-2H-pyridin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 10774283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).