(4S)-4-amino-4-pyridin-3-ylbutan-2-one

C9H12N2O — CID 59038480

IUPAC(4S)-4-amino-4-pyridin-3-ylbutan-2-one
SMILESCC(=O)C[C@H](N)c1cccnc1
InChIInChI=1S/C9H12N2O/c1-7(12)5-9(10)8-3-2-4-11-6-8/h2-4,6,9H,5,10H2,1H3/t9-/m0/s1
InChIKeyVDFNYTJUCXGWPZ-VIFPVBQESA-N
MW164.21 g/mol
LogP1.06
Rot. Bonds3

About (4S)-4-amino-4-pyridin-3-ylbutan-2-one

(4S)-4-amino-4-pyridin-3-ylbutan-2-one (PubChem CID 59038480) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (4S)-4-amino-4-pyridin-3-ylbutan-2-one.

Molecular Properties

Compound Name(4S)-4-amino-4-pyridin-3-ylbutan-2-one
PubChem CID59038480
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(4S)-4-amino-4-pyridin-3-ylbutan-2-one
SMILESCC(=O)C[C@H](N)c1cccnc1
InChIInChI=1S/C9H12N2O/c1-7(12)5-9(10)8-3-2-4-11-6-8/h2-4,6,9H,5,10H2,1H3/t9-/m0/s1
InChIKeyVDFNYTJUCXGWPZ-VIFPVBQESA-N
XLogP1.06
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
(1S)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine
CID 130868428
(1R)-3-methyl-1-pyridin-3-ylbut-3-en-1-amine;hydrochloride
CID 171201516
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
3-amino-N',N'-dimethyl-3-pyridin-3-ylpropanehydrazide
CID 116850071
3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
CID 87951167
2-amino-2-pyridin-3-ylethanol
CID 2734590
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
CID 116938534
3-amino-N-cyclopropyl-3-pyridin-3-ylpropanamide
CID 82077122
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063

Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-4-pyridin-3-ylbutan-2-one?
The IUPAC name of (4S)-4-amino-4-pyridin-3-ylbutan-2-one (CID 59038480) is (4S)-4-amino-4-pyridin-3-ylbutan-2-one.
What is the SMILES notation for (4S)-4-amino-4-pyridin-3-ylbutan-2-one?
The canonical SMILES for (4S)-4-amino-4-pyridin-3-ylbutan-2-one is CC(=O)C[C@H](N)c1cccnc1.
What is the InChIKey of (4S)-4-amino-4-pyridin-3-ylbutan-2-one?
The InChIKey is VDFNYTJUCXGWPZ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12N2O/c1-7(12)5-9(10)8-3-2-4-11-6-8/h2-4,6,9H,5,10H2,1H3/t9-/m0/s1.
What are the key properties of (4S)-4-amino-4-pyridin-3-ylbutan-2-one?
(4S)-4-amino-4-pyridin-3-ylbutan-2-one has a molecular weight of 164.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-4-pyridin-3-ylbutan-2-one is sourced from PubChem (CID 59038480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).