methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate

C11H14ClNO3S — CID 80641870

IUPACmethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7(11(15)16-3)6-13(2)10(14)9-8(12)4-5-17-9/h4-5,7H,6H2,1-3H3
InChIKeyAEJIRZFNTAYPNG-UHFFFAOYSA-N
MW275.76 g/mol
LogP2.28
Rot. Bonds4

About methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 80641870) has the molecular formula C11H14ClNO3S and a molecular weight of 275.76 g/mol. Its IUPAC name is methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID80641870
Molecular FormulaC11H14ClNO3S
Molecular Weight275.76 g/mol
Exact Mass275.04
IUPAC Namemethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1sccc1Cl
InChIInChI=1S/C11H14ClNO3S/c1-7(11(15)16-3)6-13(2)10(14)9-8(12)4-5-17-9/h4-5,7H,6H2,1-3H3
InChIKeyAEJIRZFNTAYPNG-UHFFFAOYSA-N
XLogP2.28
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2,6-dichlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008393
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025
3-chloro-N-(2-hydroxyethyl)-N-methylthiophene-2-carboxamide
CID 80641115
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
CID 78950585
N-(2-amino-2-sulfanylideneethyl)-3-chloro-N-methylthiophene-2-carboxamide
CID 80644976
methyl 2-chloro-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492752
ethyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]propanoate
CID 80642376
methyl 2-bromo-3-[(3-chlorothiophene-2-carbonyl)amino]propanoate
CID 103492365
methyl 3-[(2-chloropyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 61051558
methyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 79035725
methyl 2-[(3-chlorothiophene-2-carbonyl)amino]-3-methylbutanoate
CID 80641746

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate (CID 80641870) is methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1sccc1Cl.
What is the InChIKey of methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is AEJIRZFNTAYPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S/c1-7(11(15)16-3)6-13(2)10(14)9-8(12)4-5-17-9/h4-5,7H,6H2,1-3H3.
What are the key properties of methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 275.76 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 80641870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).