methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate

C15H16N2O3S — CID 61109705

IUPACmethyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1sccc1N
InChIInChI=1S/C15H16N2O3S/c1-20-13(18)10-17(9-11-5-3-2-4-6-11)15(19)14-12(16)7-8-21-14/h2-8H,9-10,16H2,1H3
InChIKeyZAVVXBGSVBZRKF-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.15
Rot. Bonds5

About methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate

methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate (PubChem CID 61109705) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
PubChem CID61109705
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Namemethyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate
SMILESCOC(=O)CN(Cc1ccccc1)C(=O)c1sccc1N
InChIInChI=1S/C15H16N2O3S/c1-20-13(18)10-17(9-11-5-3-2-4-6-11)15(19)14-12(16)7-8-21-14/h2-8H,9-10,16H2,1H3
InChIKeyZAVVXBGSVBZRKF-UHFFFAOYSA-N
XLogP2.15
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(2-amino-2-ethylbutanoyl)-benzylamino]acetate
CID 79812574
methyl 2-[(3-amino-3-methylbutanoyl)-benzylamino]acetate
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3-amino-N-benzyl-N-butan-2-ylthiophene-2-carboxamide
CID 61116582
methyl 2-[benzyl-(6-methoxynaphthalene-2-carbonyl)amino]acetate
CID 110169903
methyl 2-[2-aminobutanoyl(benzyl)amino]acetate
CID 54872543
methyl 2-[[(2S)-2-amino-3-methylbutanoyl]-benzylamino]acetate
CID 61163965
N-(2-aminoethyl)-N-benzyl-3-methoxythiophene-2-carboxamide
CID 104859465
methyl 3-(dibenzylcarbamothioylamino)thiophene-2-carboxylate
CID 46506384
methyl 2-[benzyl(but-2-enoyl)amino]acetate
CID 78919796
3-amino-4-[benzyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoic acid
CID 64896315
3-amino-N-[(3-methoxyphenyl)methyl]-N-methylthiophene-2-carboxamide
CID 54980615
3-amino-N-(2-amino-2-oxoethyl)-N-ethylthiophene-2-carboxamide
CID 103100919

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate?
The IUPAC name of methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate (CID 61109705) is methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate.
What is the SMILES notation for methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate?
The canonical SMILES for methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate is COC(=O)CN(Cc1ccccc1)C(=O)c1sccc1N.
What is the InChIKey of methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate?
The InChIKey is ZAVVXBGSVBZRKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-20-13(18)10-17(9-11-5-3-2-4-6-11)15(19)14-12(16)7-8-21-14/h2-8H,9-10,16H2,1H3.
What are the key properties of methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate?
methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate has a molecular weight of 304.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-aminothiophene-2-carbonyl)-benzylamino]acetate is sourced from PubChem (CID 61109705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).