methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate

C11H14N2O3S — CID 60703682

IUPACmethyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CNC1CC1
InChIInChI=1S/C11H14N2O3S/c1-16-11(15)10-8(4-5-17-10)13-9(14)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyRLPVKGNUCJCDLT-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.23
Rot. Bonds5

About methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate

methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate (PubChem CID 60703682) has the molecular formula C11H14N2O3S and a molecular weight of 254.31 g/mol. Its IUPAC name is methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
PubChem CID60703682
Molecular FormulaC11H14N2O3S
Molecular Weight254.31 g/mol
Exact Mass254.07
IUPAC Namemethyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1NC(=O)CNC1CC1
InChIInChI=1S/C11H14N2O3S/c1-16-11(15)10-8(4-5-17-10)13-9(14)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3,(H,13,14)
InChIKeyRLPVKGNUCJCDLT-UHFFFAOYSA-N
XLogP1.23
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(propylamino)acetyl]amino]thiophene-2-carboxylate
CID 60703502
methyl 3-(3-bromopropanoylamino)thiophene-2-carboxylate
CID 69190095
methyl 3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 43556558
methyl 3-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]thiophene-2-carboxylate
CID 115300730
methyl 3-[[2-(3-hydroxyazetidin-1-yl)acetyl]amino]thiophene-2-carboxylate
CID 55173040
methyl 3-[[2-(cyclopropylamino)acetyl]amino]-1-benzothiophene-2-carboxylate
CID 61258667
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]thiophene-2-carboxylate
CID 79610580
methyl 3-[(2-cyanoacetyl)amino]thiophene-2-carboxylate
CID 5178717
methyl 4-[[2-[(2-methoxycarbonylthiophen-3-yl)amino]-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 75400277
methyl 3-[(2-thiophen-3-ylacetyl)amino]thiophene-2-carboxylate
CID 43408027
methyl 3-[(2-pyridin-4-ylacetyl)amino]thiophene-2-carboxylate
CID 43623574
methyl 3-(2-cyclopropylpropanoylamino)thiophene-2-carboxylate
CID 79506555

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate (CID 60703682) is methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate is COC(=O)c1sccc1NC(=O)CNC1CC1.
What is the InChIKey of methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate?
The InChIKey is RLPVKGNUCJCDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3S/c1-16-11(15)10-8(4-5-17-10)13-9(14)6-12-7-2-3-7/h4-5,7,12H,2-3,6H2,1H3,(H,13,14).
What are the key properties of methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate?
methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate has a molecular weight of 254.31 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(cyclopropylamino)acetyl]amino]thiophene-2-carboxylate is sourced from PubChem (CID 60703682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).