methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate

C13H18N2O4S — CID 61031833

IUPACmethyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-10(20-9)13(18)14-8-11(16)15(2)7-6-12(17)19-3/h4-5H,6-8H2,1-3H3,(H,14,18)
InChIKeyMOSPVOBKPDQJGZ-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.81
Rot. Bonds6

About methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate

methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate (PubChem CID 61031833) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
PubChem CID61031833
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Namemethyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate
SMILESCOC(=O)CCN(C)C(=O)CNC(=O)c1ccc(C)s1
InChIInChI=1S/C13H18N2O4S/c1-9-4-5-10(20-9)13(18)14-8-11(16)15(2)7-6-12(17)19-3/h4-5H,6-8H2,1-3H3,(H,14,18)
InChIKeyMOSPVOBKPDQJGZ-UHFFFAOYSA-N
XLogP0.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate with MolForge

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Related Compounds

N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18120021
N-[2-[2-(2-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 18119370
methyl 6-[(5-methylthiophene-2-carbonyl)amino]hexanoate
CID 43404553
N-[2-[(2-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4787297
N-[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 31215607
5-methyl-N-[2-[methyl(4-methylpentan-2-yl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47160134
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2578701
ethyl 4-[(5-methylthiophene-2-carbonyl)amino]butanoate
CID 60637607
2-[tert-butyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]acetic acid
CID 79265517
[2-[(3-amino-3-oxopropyl)-benzylamino]-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 18276130
[2-(N-ethylanilino)-2-oxoethyl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 2399511
[(2S)-4-methylpentan-2-yl] 2-[(5-methylthiophene-2-carbonyl)amino]acetate
CID 97006868

Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate?
The IUPAC name of methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate (CID 61031833) is methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate.
What is the SMILES notation for methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate?
The canonical SMILES for methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate is COC(=O)CCN(C)C(=O)CNC(=O)c1ccc(C)s1.
What is the InChIKey of methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate?
The InChIKey is MOSPVOBKPDQJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c1-9-4-5-10(20-9)13(18)14-8-11(16)15(2)7-6-12(17)19-3/h4-5H,6-8H2,1-3H3,(H,14,18).
What are the key properties of methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate?
methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate has a molecular weight of 298.36 g/mol, XLogP of 0.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-[(5-methylthiophene-2-carbonyl)amino]acetyl]amino]propanoate is sourced from PubChem (CID 61031833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).