ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate

C14H21NO3S — CID 103242925

IUPACethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H21NO3S/c1-2-18-14(17)7-11(16)8-15-9-12-6-10-4-3-5-13(10)19-12/h6,11,15-16H,2-5,7-9H2,1H3
InChIKeyLIHVZFIZZLHEPA-UHFFFAOYSA-N
MW283.39 g/mol
LogP1.64
Rot. Bonds7

About ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate

ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate (PubChem CID 103242925) has the molecular formula C14H21NO3S and a molecular weight of 283.39 g/mol. Its IUPAC name is ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
PubChem CID103242925
Molecular FormulaC14H21NO3S
Molecular Weight283.39 g/mol
Exact Mass283.12
IUPAC Nameethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate
SMILESCCOC(=O)CC(O)CNCc1cc2c(s1)CCC2
InChIInChI=1S/C14H21NO3S/c1-2-18-14(17)7-11(16)8-15-9-12-6-10-4-3-5-13(10)19-12/h6,11,15-16H,2-5,7-9H2,1H3
InChIKeyLIHVZFIZZLHEPA-UHFFFAOYSA-N
XLogP1.64
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.39
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate?
The IUPAC name of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate (CID 103242925) is ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate.
What is the SMILES notation for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate?
The canonical SMILES for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate is CCOC(=O)CC(O)CNCc1cc2c(s1)CCC2.
What is the InChIKey of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate?
The InChIKey is LIHVZFIZZLHEPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3S/c1-2-18-14(17)7-11(16)8-15-9-12-6-10-4-3-5-13(10)19-12/h6,11,15-16H,2-5,7-9H2,1H3.
What are the key properties of ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate?
ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate has a molecular weight of 283.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-ylmethylamino)-3-hydroxybutanoate is sourced from PubChem (CID 103242925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).