[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

C13H14ClNO3 — CID 4235031

IUPAC[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)7-15-12(16)8-18-13(17)9-5-6-9/h1-4,9H,5-8H2,(H,15,16)
InChIKeyMGGRUXRRQSGUGT-UHFFFAOYSA-N
MW267.71 g/mol
LogP1.91
Rot. Bonds5

About [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate

[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 4235031) has the molecular formula C13H14ClNO3 and a molecular weight of 267.71 g/mol. Its IUPAC name is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID4235031
Molecular FormulaC13H14ClNO3
Molecular Weight267.71 g/mol
Exact Mass267.07
IUPAC Name[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
SMILESO=C(COC(=O)C1CC1)NCc1ccccc1Cl
InChIInChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)7-15-12(16)8-18-13(17)9-5-6-9/h1-4,9H,5-8H2,(H,15,16)
InChIKeyMGGRUXRRQSGUGT-UHFFFAOYSA-N
XLogP1.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(Benzylamino)-2-oxoethyl] cyclopropanecarboxylate
CID 2079530
N-[(2-chlorophenyl)methyl]oxolane-2-carboxamide
CID 2957283
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] cyclopentanecarboxylate
CID 4962992
[2-[(2,4-Dichlorophenyl)methylamino]-2-oxoethyl] cyclobutanecarboxylate
CID 7717266
2-[(2-chlorobenzyl)amino]-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2342864
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4336514
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2100301
[2-(Cyclopropylamino)-2-oxoethyl] 2-[(2-chlorobenzoyl)amino]acetate
CID 2108224
[2-[(2-Chlorophenyl)methylamino]-2-oxoethyl] 2-methylpropanoate
CID 2112567
[2-Oxo-2-(2-phenylethylamino)ethyl] cyclopropanecarboxylate
CID 2363855
[2-[(4-Chlorophenyl)methylamino]-2-oxoethyl] butanoate
CID 2371650
[2-[(4-Methylphenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2429801

Frequently Asked Questions

What is the IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate (CID 4235031) is [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is O=C(COC(=O)C1CC1)NCc1ccccc1Cl.
What is the InChIKey of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is MGGRUXRRQSGUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO3/c14-11-4-2-1-3-10(11)7-15-12(16)8-18-13(17)9-5-6-9/h1-4,9H,5-8H2,(H,15,16).
What are the key properties of [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 267.71 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-chlorophenyl)methylamino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 4235031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).