methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate

C10H14N2O3S — CID 55135924

IUPACmethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C10H14N2O3S/c1-6-7(11)4-8(16-6)10(14)12(2)5-9(13)15-3/h4H,5,11H2,1-3H3
InChIKeyDQONQJWDEKCFII-UHFFFAOYSA-N
MW242.30 g/mol
LogP0.88
Rot. Bonds3

About methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate

methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate (PubChem CID 55135924) has the molecular formula C10H14N2O3S and a molecular weight of 242.30 g/mol. Its IUPAC name is methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
PubChem CID55135924
Molecular FormulaC10H14N2O3S
Molecular Weight242.30 g/mol
Exact Mass242.07
IUPAC Namemethyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate
SMILESCOC(=O)CN(C)C(=O)c1cc(N)c(C)s1
InChIInChI=1S/C10H14N2O3S/c1-6-7(11)4-8(16-6)10(14)12(2)5-9(13)15-3/h4H,5,11H2,1-3H3
InChIKeyDQONQJWDEKCFII-UHFFFAOYSA-N
XLogP0.88
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-propan-2-ylamino]acetate
CID 61108861
4-amino-N-(cyclohexylmethyl)-N,5-dimethylthiophene-2-carboxamide
CID 61109172
4-amino-N,5-dimethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 61094456
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
methyl 2-[(5-acetamidothiophene-2-carbonyl)-methylamino]acetate
CID 43409771
4-amino-N,5-dimethyl-N-[(3-methylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 61106846
ethyl 4-amino-5-methylthiophene-2-carboxylate
CID 61310193
methyl 4-[(4,5-dimethylthiophene-2-carbonyl)-methylamino]butanoate
CID 54940815
methyl 4-[[(4-amino-5-methylthiophene-2-carbonyl)amino]methyl]benzoate
CID 61113252
4-amino-N-(2-amino-2-oxoethyl)-5-methyl-N-(2-methylpropyl)thiophene-2-carboxamide
CID 61109174
4-amino-N-[2-[ethyl(methyl)amino]ethyl]-5-methylthiophene-2-carboxamide
CID 62635362
4-amino-5-methyl-N,N-dipentylthiophene-2-carboxamide
CID 61108711

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate (CID 55135924) is methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate is COC(=O)CN(C)C(=O)c1cc(N)c(C)s1.
What is the InChIKey of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate?
The InChIKey is DQONQJWDEKCFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3S/c1-6-7(11)4-8(16-6)10(14)12(2)5-9(13)15-3/h4H,5,11H2,1-3H3.
What are the key properties of methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate?
methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate has a molecular weight of 242.30 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-amino-5-methylthiophene-2-carbonyl)-methylamino]acetate is sourced from PubChem (CID 55135924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).