(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane

C14H24N2O7S — CID 160853710

IUPAC(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
SMILESC.CC(=O)C[C@@H](N)c1cccnc1.O=C(O)[C@@H](O)[C@@H](O)C(=O)O.S
InChIInChI=1S/C9H12N2O.C4H6O6.CH4.H2S/c1-7(12)5-9(10)8-3-2-4-11-6-8;5-1(3(7)8)2(6)4(9)10;;/h2-4,6,9H,5,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);1H4;1H2/t9-;1-,2+;;/m1.../s1
InChIKeyAZEZERJMWRZUCJ-FKLWPCNUSA-N
MW364.42 g/mol
LogP-0.31
Rot. Bonds6

About (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane

(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane (PubChem CID 160853710) has the molecular formula C14H24N2O7S and a molecular weight of 364.42 g/mol. Its IUPAC name is (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane.

Molecular Properties

Compound Name(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
PubChem CID160853710
Molecular FormulaC14H24N2O7S
Molecular Weight364.42 g/mol
Exact Mass364.13
IUPAC Name(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
SMILESC.CC(=O)C[C@@H](N)c1cccnc1.O=C(O)[C@@H](O)[C@@H](O)C(=O)O.S
InChIInChI=1S/C9H12N2O.C4H6O6.CH4.H2S/c1-7(12)5-9(10)8-3-2-4-11-6-8;5-1(3(7)8)2(6)4(9)10;;/h2-4,6,9H,5,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);1H4;1H2/t9-;1-,2+;;/m1.../s1
InChIKeyAZEZERJMWRZUCJ-FKLWPCNUSA-N
XLogP-0.31
TPSA171.04 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 5-0.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane with MolForge

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Related Compounds

(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2,3-dihydroxybutanedioic acid;methyl (3S)-3-amino-3-pyridin-3-ylpropanoate
CID 158321669
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
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
3-amino-N-methoxy-N-methyl-3-pyridin-3-ylpropanamide;dihydrochloride
CID 87951167
methanamine;4-phenylsulfanyl-4-pyridin-3-ylbutan-2-one
CID 91172505

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane?
The IUPAC name of (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane (CID 160853710) is (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane.
What is the SMILES notation for (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane?
The canonical SMILES for (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane is C.CC(=O)C[C@@H](N)c1cccnc1.O=C(O)[C@@H](O)[C@@H](O)C(=O)O.S.
What is the InChIKey of (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane?
The InChIKey is AZEZERJMWRZUCJ-FKLWPCNUSA-N. The full InChI is InChI=1S/C9H12N2O.C4H6O6.CH4.H2S/c1-7(12)5-9(10)8-3-2-4-11-6-8;5-1(3(7)8)2(6)4(9)10;;/h2-4,6,9H,5,10H2,1H3;1-2,5-6H,(H,7,8)(H,9,10);1H4;1H2/t9-;1-,2+;;/m1.../s1.
What are the key properties of (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane?
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane has a molecular weight of 364.42 g/mol, XLogP of -0.31, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane is sourced from PubChem (CID 160853710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).