ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate

C11H14ClNO3S — CID 80642376

IUPACethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-3-16-9(14)4-6-13(2)11(15)10-8(12)5-7-17-10/h5,7H,3-4,6H2,1-2H3
InChIKeyALJMCMMVSYGSDQ-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.43
Rot. Bonds5

About ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate

ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate (PubChem CID 80642376) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
PubChem CID80642376
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Nameethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-3-16-9(14)4-6-13(2)11(15)10-8(12)5-7-17-10/h5,7H,3-4,6H2,1-2H3
InChIKeyALJMCMMVSYGSDQ-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115
ethyl 2-[(3-chlorothiophene-2-carbonyl)amino]acetate
CID 80641030
ethyl 2-[(3-chlorothiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 80641031
ethyl 3-[(6-chloropyridine-2-carbonyl)-methylamino]propanoate
CID 62239281
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
CID 80644976
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76929626
ethyl 3-[2,3-dihydro-1H-indene-2-carbonyl(methyl)amino]propanoate
CID 106703666
ethyl 3-[3-(4-chlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76923124
ethyl 3-[methyl-[(4-methyl-1,3-thiazol-2-yl)methyl]amino]propanoate
CID 78993745
diethyl 2-[(3-chlorothiophene-2-carbonyl)amino]propanedioate
CID 80642748

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate (CID 80642376) is ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1sccc1Cl.
What is the InChIKey of ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate?
The InChIKey is ALJMCMMVSYGSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-3-16-9(14)4-6-13(2)11(15)10-8(12)5-7-17-10/h5,7H,3-4,6H2,1-2H3.
What are the key properties of ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate?
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate has a molecular weight of 275.76 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate is sourced from PubChem (CID 80642376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).