(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one

C11H16N2O — CID 89242036

IUPAC(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
SMILESCC(C)[C@@H](N)CC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O/c1-8(2)9(12)7-11(14)10-5-3-4-6-13-10/h3-6,8-9H,7,12H2,1-2H3/t9-/m0/s1
InChIKeyYLSYTDBOQCVPIH-VIFPVBQESA-N
MW192.26 g/mol
LogP1.64
Rot. Bonds4

About (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one

(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one (PubChem CID 89242036) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one.

Molecular Properties

Compound Name(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
PubChem CID89242036
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one
SMILESCC(C)[C@@H](N)CC(=O)c1ccccn1
InChIInChI=1S/C11H16N2O/c1-8(2)9(12)7-11(14)10-5-3-4-6-13-10/h3-6,8-9H,7,12H2,1-2H3/t9-/m0/s1
InChIKeyYLSYTDBOQCVPIH-VIFPVBQESA-N
XLogP1.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559
4-methyl-1-pyridin-2-ylpentane-1,3-dione
CID 63319425
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
1-pyridin-2-ylbutane-1,3-dione
CID 12707221
1-aminoethyl pyridine-2-carboxylate
CID 141264689
(2S)-2-methyl-4-oxo-N-[(1S)-1-phenylethyl]-4-pyridin-2-ylbutanamide
CID 10040229
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
butane;ethane;1-pyridin-2-ylpropan-1-one
CID 144892300
3-amino-4-methyl-1-(4-phenylphenyl)pentan-1-one
CID 116606231
N-(2-amino-4-methylpentyl)pyridine-2-carboxamide
CID 107158631
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one?
The IUPAC name of (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one (CID 89242036) is (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one.
What is the SMILES notation for (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one?
The canonical SMILES for (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one is CC(C)[C@@H](N)CC(=O)c1ccccn1.
What is the InChIKey of (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one?
The InChIKey is YLSYTDBOQCVPIH-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16N2O/c1-8(2)9(12)7-11(14)10-5-3-4-6-13-10/h3-6,8-9H,7,12H2,1-2H3/t9-/m0/s1.
What are the key properties of (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one?
(3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one has a molecular weight of 192.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-4-methyl-1-pyridin-2-ylpentan-1-one is sourced from PubChem (CID 89242036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).