[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate

C14H16N2O4 — CID 3889313

IUPAC[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12(9-20-13(18)11-6-7-11)16-14(19)15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,16,17,19)
InChIKeyPQHYKGGZJDBCMW-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.97
Rot. Bonds5

About [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate

[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 3889313) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
PubChem CID3889313
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NC(=O)NCc1ccccc1
InChIInChI=1S/C14H16N2O4/c17-12(9-20-13(18)11-6-7-11)16-14(19)15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,16,17,19)
InChIKeyPQHYKGGZJDBCMW-UHFFFAOYSA-N
XLogP0.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2079530
[2-(Benzylamino)-2-oxoethyl] cyclobutanecarboxylate
CID 7717405
[2-Oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
CID 2363855
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2429801
[2-Oxo-2-(1-phenylethylamino)ethyl] 2-methylcyclopropane-1-carboxylate
CID 3290911
[2-(Benzylamino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 3883134
[2-(Dibenzylamino)-2-oxoethyl] 2-(carbamoylamino)-4-methylpentanoate
CID 4882849
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 8588737
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-(2-methoxyethyl)amino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 18277682
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2,2-dichloro-1-methylcyclopropane-1-carboxylate
CID 4875570
[2-[(6-Amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 18228768
[2-(benzylcarbamoylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2508864

Frequently Asked Questions

What is the IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate (CID 3889313) is [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NC(=O)NCc1ccccc1.
What is the InChIKey of [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is PQHYKGGZJDBCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-12(9-20-13(18)11-6-7-11)16-14(19)15-8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,15,16,17,19).
What are the key properties of [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate?
[2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 276.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylcarbamoylamino)-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 3889313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).