(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one

C9H18N2OS — CID 10125142

IUPAC(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
SMILESCC[C@@H](C)[C@H](N)C(=O)C1NCCS1
InChIInChI=1S/C9H18N2OS/c1-3-6(2)7(10)8(12)9-11-4-5-13-9/h6-7,9,11H,3-5,10H2,1-2H3/t6-,7+,9?/m1/s1
InChIKeyARNUPLMOASAEAN-CSTAXXSYSA-N
MW202.32 g/mol
LogP0.59
Rot. Bonds4

About (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one

(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one (PubChem CID 10125142) has the molecular formula C9H18N2OS and a molecular weight of 202.32 g/mol. Its IUPAC name is (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one.

Molecular Properties

Compound Name(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
PubChem CID10125142
Molecular FormulaC9H18N2OS
Molecular Weight202.32 g/mol
Exact Mass202.11
IUPAC Name(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one
SMILESCC[C@@H](C)[C@H](N)C(=O)C1NCCS1
InChIInChI=1S/C9H18N2OS/c1-3-6(2)7(10)8(12)9-11-4-5-13-9/h6-7,9,11H,3-5,10H2,1-2H3/t6-,7+,9?/m1/s1
InChIKeyARNUPLMOASAEAN-CSTAXXSYSA-N
XLogP0.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
ethane;1,3-thiazolidine-2-carboxylic acid
CID 144912581
carbamothioyl 1,3-thiazolidine-2-carboxylate
CID 154410190
(2S)-2-amino-3-methylpentanamide
CID 10290817
(2S,3S)-2-amino-3-(113C)methylpentanoic acid
CID 10606774
(2S,3S)-2-(15N)azanyl-3-methylpentanoic acid
CID 10678279
(2S,3S)-2-amino-3-methyl-N-(thian-4-yl)pentanamide
CID 103833033
2-amino-3-methyl-1-(oxolan-3-yl)pentan-1-one
CID 116552686
(2S,3S)-2-amino-1-(4,5-dihydro-3H-1,3-thiazol-1-yl)-3-methylpentan-1-one
CID 87756668
2-amino-3-methylpentanoic acid;manganese
CID 175109832
2-amino-3-methylpentanoic acid;azane
CID 87185080
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one?
The IUPAC name of (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one (CID 10125142) is (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one.
What is the SMILES notation for (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one?
The canonical SMILES for (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one is CC[C@@H](C)[C@H](N)C(=O)C1NCCS1.
What is the InChIKey of (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one?
The InChIKey is ARNUPLMOASAEAN-CSTAXXSYSA-N. The full InChI is InChI=1S/C9H18N2OS/c1-3-6(2)7(10)8(12)9-11-4-5-13-9/h6-7,9,11H,3-5,10H2,1-2H3/t6-,7+,9?/m1/s1.
What are the key properties of (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one?
(2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one has a molecular weight of 202.32 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-2-yl)pentan-1-one is sourced from PubChem (CID 10125142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).