ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate

C10H15NO3S — CID 103255776

IUPACethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate
SMILESCCOC(=O)CC(O)CNc1ccsc1
InChIInChI=1S/C10H15NO3S/c1-2-14-10(13)5-9(12)6-11-8-3-4-15-7-8/h3-4,7,9,11-12H,2,5-6H2,1H3
InChIKeyKEFYFTMCSYWULU-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.47
Rot. Bonds6

About ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate

ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate (PubChem CID 103255776) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate
PubChem CID103255776
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Nameethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate
SMILESCCOC(=O)CC(O)CNc1ccsc1
InChIInChI=1S/C10H15NO3S/c1-2-14-10(13)5-9(12)6-11-8-3-4-15-7-8/h3-4,7,9,11-12H,2,5-6H2,1H3
InChIKeyKEFYFTMCSYWULU-UHFFFAOYSA-N
XLogP1.47
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-hydroxy-4-(3-iodoanilino)butanoate
CID 103236703
ethyl 4-(3,5-dichloro-4-fluoroanilino)-3-hydroxybutanoate
CID 107575620
ethyl 4-(4-bromo-3-methoxyanilino)-3-hydroxybutanoate
CID 103261940
ethyl 3-hydroxy-4-(2,3,4,5,6-pentafluoroanilino)butanoate
CID 103260878
ethyl (3S)-3-amino-3-thiophen-3-ylpropanoate
CID 29059787
ethyl 4-(3-cyano-4-fluoroanilino)-3-hydroxybutanoate
CID 103247889
ethyl 4-(2,4-dichloroanilino)-3-hydroxybutanoate
CID 103232249
ethyl 3-hydroxy-4-[(3-methoxy-3-oxopropyl)amino]butanoate
CID 103240342
ethyl 3-hydroxy-4-(2-thiophen-2-ylethylamino)butanoate
CID 103235530
ethyl 3-hydroxy-4-(2-phenylethylamino)butanoate
CID 103234112
ethyl 3-hydroxy-4-[2-(trifluoromethoxy)anilino]butanoate
CID 103233505
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate?
The IUPAC name of ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate (CID 103255776) is ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate is CCOC(=O)CC(O)CNc1ccsc1.
What is the InChIKey of ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate?
The InChIKey is KEFYFTMCSYWULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-2-14-10(13)5-9(12)6-11-8-3-4-15-7-8/h3-4,7,9,11-12H,2,5-6H2,1H3.
What are the key properties of ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate?
ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate has a molecular weight of 229.30 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-(thiophen-3-ylamino)butanoate is sourced from PubChem (CID 103255776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).