5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid

C12H15NO4S — CID 102688785

IUPAC5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C12H15NO4S/c1-7(10-3-2-6-18-10)13-11(14)8-4-5-9(17-8)12(15)16/h2-3,6-9H,4-5H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m1/s1
InChIKeyGZQJAOLIYCVSOQ-AFPNSQJFSA-N
MW269.32 g/mol
LogP1.56
Rot. Bonds4

About 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid

5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102688785) has the molecular formula C12H15NO4S and a molecular weight of 269.32 g/mol. Its IUPAC name is 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102688785
Molecular FormulaC12H15NO4S
Molecular Weight269.32 g/mol
Exact Mass269.07
IUPAC Name5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid
SMILESC[C@@H](NC(=O)C1CCC(C(=O)O)O1)c1cccs1
InChIInChI=1S/C12H15NO4S/c1-7(10-3-2-6-18-10)13-11(14)8-4-5-9(17-8)12(15)16/h2-3,6-9H,4-5H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m1/s1
InChIKeyGZQJAOLIYCVSOQ-AFPNSQJFSA-N
XLogP1.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(1-thiophen-2-ylethyl)oxolane-2-carboxamide
CID 120784156
5-(aminomethyl)-N-[(1R)-1-thiophen-2-ylethyl]oxolane-2-carboxamide
CID 81407924
cis-(1S,3R)-3-(1-thiophen-2-ylethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114091689
(2R,5S)-5-[1-(2-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944480
N-[(1R)-1-thiophen-2-ylethyl]morpholine-2-carboxamide
CID 81408817
N-[(1S)-1-thiophen-2-ylethyl]oxane-4-carboxamide
CID 30971824
(2R,5S)-5-[1-(4-methylphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 102944580
3-[[(1S)-1-thiophen-2-ylethyl]carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 81392981
N-[(1R)-1-thiophen-2-ylethyl]azetidine-3-carboxamide
CID 81407911
(2R,5S)-5-[[(1S)-1-(4-fluorophenyl)ethyl]carbamoyl]oxolane-2-carboxylic acid
CID 102945486
(2R)-N-[(1R)-1-thiophen-2-ylethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 37006047
N-(1-thiophen-2-ylethyl)pyrrolidine-3-carboxamide
CID 63006092

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid (CID 102688785) is 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid is C[C@@H](NC(=O)C1CCC(C(=O)O)O1)c1cccs1.
What is the InChIKey of 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is GZQJAOLIYCVSOQ-AFPNSQJFSA-N. The full InChI is InChI=1S/C12H15NO4S/c1-7(10-3-2-6-18-10)13-11(14)8-4-5-9(17-8)12(15)16/h2-3,6-9H,4-5H2,1H3,(H,13,14)(H,15,16)/t7-,8?,9?/m1/s1.
What are the key properties of 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid?
5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 269.32 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R)-1-thiophen-2-ylethyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102688785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).