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

C13H17NO4S — CID 1470109

IUPAC[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyNEJNAWGNVCSTOH-ZJUUUORDSA-N
MW283.35 g/mol
LogP1.59
Rot. Bonds5

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

[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate (PubChem CID 1470109) has the molecular formula C13H17NO4S and a molecular weight of 283.35 g/mol. Its IUPAC name is [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
PubChem CID1470109
Molecular FormulaC13H17NO4S
Molecular Weight283.35 g/mol
Exact Mass283.09
IUPAC Name[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate
SMILESC[C@@H](OC(=O)c1cccs1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C13H17NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyNEJNAWGNVCSTOH-ZJUUUORDSA-N
XLogP1.59
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-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]butan-2-yl] thiophene-2-carboxylate
CID 1470160
[(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
N-(oxolan-2-ylmethyl)-2-[(Z)-1-thiophen-2-ylethylideneamino]oxyacetamide
CID 6376286
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
[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] thiophene-2-carboxylate
CID 654796
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
3-[(2S)-oxolan-2-yl]propyl thiophene-2-carboxylate
CID 99822015

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate (CID 1470109) is [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate is C[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]propan-2-yl] thiophene-2-carboxylate?
The InChIKey is NEJNAWGNVCSTOH-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H17NO4S/c1-9(18-13(16)11-5-3-7-19-11)12(15)14-8-10-4-2-6-17-10/h3,5,7,9-10H,2,4,6,8H2,1H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of [(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate?
[(2R)-1-oxo-1-[[(2S)-oxolan-2-yl]methylamino]propan-2-yl] thiophene-2-carboxylate has a molecular weight of 283.35 g/mol, XLogP of 1.59, 5 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]propan-2-yl] thiophene-2-carboxylate is sourced from PubChem (CID 1470109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).