[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate

C14H19NO4S — CID 1470160

IUPAC[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
SMILESCC[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H19NO4S/c1-2-11(19-14(17)12-6-4-8-20-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyFYJMFSILULWUDR-WDEREUQCSA-N
MW297.38 g/mol
LogP1.98
Rot. Bonds6

About [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate

[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate (PubChem CID 1470160) has the molecular formula C14H19NO4S and a molecular weight of 297.38 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
PubChem CID1470160
Molecular FormulaC14H19NO4S
Molecular Weight297.38 g/mol
Exact Mass297.10
IUPAC Name[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate
SMILESCC[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C14H19NO4S/c1-2-11(19-14(17)12-6-4-8-20-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyFYJMFSILULWUDR-WDEREUQCSA-N
XLogP1.98
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate with MolForge

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Related Compounds

[(2S)-4-methyl-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]pentan-2-yl] thiophene-2-carboxylate
CID 1470140
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
CID 1470109
[(1S)-1-(2-methoxyphenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470171
[(1R)-1-(4-fluorophenyl)-2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] thiophene-2-carboxylate
CID 1470258
[(2R)-1-oxo-1-[[(2R)-oxolan-2-yl]methylamino]butan-2-yl] furan-2-carboxylate
CID 1470028
[1-(cyclopentylamino)-1-oxobutan-2-yl] thiophene-2-carboxylate
CID 3863781
(2S)-2-(2,3-dimethylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676912
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
(2S)-2-(3-methoxyphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 92676854
(2S)-2-naphthalen-2-yloxy-N-[[(2S)-oxolan-2-yl]methyl]butanamide
CID 93487213
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-4-thiophen-2-ylbutanamide
CID 2530381
N'-methyl-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboximidamide
CID 95591821

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate (CID 1470160) is [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate is CC[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate?
The InChIKey is FYJMFSILULWUDR-WDEREUQCSA-N. The full InChI is InChI=1S/C14H19NO4S/c1-2-11(19-14(17)12-6-4-8-20-12)13(16)15-9-10-5-3-7-18-10/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate?
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate has a molecular weight of 297.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]butan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 1470160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).