ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate

C12H17NO4S — CID 13111463

IUPACethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
SMILESCCOC(=O)C(C)OC(=O)NCCc1cccs1
InChIInChI=1S/C12H17NO4S/c1-3-16-11(14)9(2)17-12(15)13-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyNFVAJRUGWQCNSI-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.97
Rot. Bonds6

About ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate

ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate (PubChem CID 13111463) has the molecular formula C12H17NO4S and a molecular weight of 271.34 g/mol. Its IUPAC name is ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate.

Molecular Properties

Compound Nameethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
PubChem CID13111463
Molecular FormulaC12H17NO4S
Molecular Weight271.34 g/mol
Exact Mass271.09
IUPAC Nameethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate
SMILESCCOC(=O)C(C)OC(=O)NCCc1cccs1
InChIInChI=1S/C12H17NO4S/c1-3-16-11(14)9(2)17-12(15)13-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15)
InChIKeyNFVAJRUGWQCNSI-UHFFFAOYSA-N
XLogP1.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(2-thiophen-2-ylethylcarbamoylamino)acetate
CID 43445634
ethyl 2-(3-thiophen-2-ylpropanoylamino)propanoate
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benzyl N-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]carbamate
CID 18111263
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
2-amino-2-methyl-N-(2-thiophen-2-ylethyl)pentanamide
CID 60847685
ethyl 2-(4-thiophen-2-ylbutanoylamino)propanoate
CID 61343312
diethyl 2-[(E)-6-thiophen-2-ylhex-2-enyl]propanedioate
CID 15054086
N'-(2-thiophen-2-ylethyl)oxamide
CID 115192053
ethyl N-[3-oxo-3-(thiophen-2-ylmethylamino)propyl]carbamate
CID 38415489
ethyl N-[2-[[methyl-[(1S)-1-thiophen-2-ylethyl]carbamoyl]amino]ethyl]carbamate
CID 97029198
ethyl (2S)-2-(2-chlorophenyl)-2-(2-thiophen-2-ylethylamino)acetate;hydrochloride
CID 141274258
2-amino-2-phenyl-N-(2-thiophen-2-ylethyl)acetamide
CID 24704735

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate?
The IUPAC name of ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate (CID 13111463) is ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate.
What is the SMILES notation for ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate?
The canonical SMILES for ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate is CCOC(=O)C(C)OC(=O)NCCc1cccs1.
What is the InChIKey of ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate?
The InChIKey is NFVAJRUGWQCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4S/c1-3-16-11(14)9(2)17-12(15)13-7-6-10-5-4-8-18-10/h4-5,8-9H,3,6-7H2,1-2H3,(H,13,15).
What are the key properties of ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate?
ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate has a molecular weight of 271.34 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-thiophen-2-ylethylcarbamoyloxy)propanoate is sourced from PubChem (CID 13111463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).