[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate

C11H15N3O4S — CID 2554358

IUPAC[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CNC(N)=O
InChIInChI=1S/C11H15N3O4S/c1-14(6-8-3-2-4-19-8)9(15)7-18-10(16)5-13-11(12)17/h2-4H,5-7H2,1H3,(H3,12,13,17)
InChIKeyQAOUXSMWJZSGLL-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.08
Rot. Bonds6

About [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate

[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate (PubChem CID 2554358) has the molecular formula C11H15N3O4S and a molecular weight of 285.33 g/mol. Its IUPAC name is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate.

Molecular Properties

Compound Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate
PubChem CID2554358
Molecular FormulaC11H15N3O4S
Molecular Weight285.33 g/mol
Exact Mass285.08
IUPAC Name[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate
SMILESCN(Cc1cccs1)C(=O)COC(=O)CNC(N)=O
InChIInChI=1S/C11H15N3O4S/c1-14(6-8-3-2-4-19-8)9(15)7-18-10(16)5-13-11(12)17/h2-4H,5-7H2,1H3,(H3,12,13,17)
InChIKeyQAOUXSMWJZSGLL-UHFFFAOYSA-N
XLogP-0.08
TPSA101.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate?
The IUPAC name of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate (CID 2554358) is [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate.
What is the SMILES notation for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate?
The canonical SMILES for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate is CN(Cc1cccs1)C(=O)COC(=O)CNC(N)=O.
What is the InChIKey of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate?
The InChIKey is QAOUXSMWJZSGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4S/c1-14(6-8-3-2-4-19-8)9(15)7-18-10(16)5-13-11(12)17/h2-4H,5-7H2,1H3,(H3,12,13,17).
What are the key properties of [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate?
[2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate has a molecular weight of 285.33 g/mol, XLogP of -0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(thiophen-2-ylmethyl)amino]-2-oxoethyl] 2-(carbamoylamino)acetate is sourced from PubChem (CID 2554358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).