(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid

C11H19NO4S — CID 102945718

IUPAC(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCC(CSC)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO4S/c1-3-7(6-17-2)12-10(13)8-4-5-9(16-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-,9+/m0/s1
InChIKeyJAMVEQHPFRMXRR-SXNZSPLWSA-N
MW261.34 g/mol
LogP0.88
Rot. Bonds6

About (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid

(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid (PubChem CID 102945718) has the molecular formula C11H19NO4S and a molecular weight of 261.34 g/mol. Its IUPAC name is (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
PubChem CID102945718
Molecular FormulaC11H19NO4S
Molecular Weight261.34 g/mol
Exact Mass261.10
IUPAC Name(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
SMILESCCC(CSC)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H19NO4S/c1-3-7(6-17-2)12-10(13)8-4-5-9(16-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-,9+/m0/s1
InChIKeyJAMVEQHPFRMXRR-SXNZSPLWSA-N
XLogP0.88
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[(1-methoxy-3-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944751
(2R,5S)-5-(hex-1-yn-3-ylcarbamoyl)oxolane-2-carboxylic acid
CID 106224004
(2R,5S)-5-[[1-(dimethylamino)-4-methylpentan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102944797
5-(1-methylsulfanylbutan-2-ylcarbamoyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427545
(2R,5S)-5-(ethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944287
5-(1-cyclopropylpropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688559
5-[[1-(diethylamino)-1-oxopropan-2-yl]carbamoyl]oxolane-2-carboxylic acid
CID 102688026
5-(3,3-dimethylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102688941
(2R,5S)-5-(1-methoxypropan-2-ylcarbamoyl)oxolane-2-carboxylic acid
CID 102944312
(2R,5S)-5-(1-cyclohexylethylcarbamoyl)oxolane-2-carboxylic acid
CID 102945182
N-(1-amino-1-sulfanylidenepentan-3-yl)-5-methyloxolane-2-carboxamide
CID 81330044
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid (CID 102945718) is (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid is CCC(CSC)NC(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
The InChIKey is JAMVEQHPFRMXRR-SXNZSPLWSA-N. The full InChI is InChI=1S/C11H19NO4S/c1-3-7(6-17-2)12-10(13)8-4-5-9(16-8)11(14)15/h7-9H,3-6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid has a molecular weight of 261.34 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(1-methylsulfanylbutan-2-ylcarbamoyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).