[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate

C20H21NO3 — CID 2113866

IUPAC[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-15(16-8-4-2-5-9-16)21-18(22)14-24-19(23)20(12-13-20)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyGENGDIIQOZAEMT-OAHLLOKOSA-N
MW323.39 g/mol
LogP3.14
Rot. Bonds6

About [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate

[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate (PubChem CID 2113866) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
PubChem CID2113866
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
SMILESC[C@@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccccc1
InChIInChI=1S/C20H21NO3/c1-15(16-8-4-2-5-9-16)21-18(22)14-24-19(23)20(12-13-20)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,22)/t15-/m1/s1
InChIKeyGENGDIIQOZAEMT-OAHLLOKOSA-N
XLogP3.14
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
CID 7455392
[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8586909
[2-[[(1S)-1,2-diphenylethyl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8530232
[2-[[(2S,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641475
[2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 18201850
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 1-phenylcyclopropane-1-carboxylate
CID 8587838
[2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]-2-oxoethyl] 1-(4-chlorophenyl)cyclopropane-1-carboxylate
CID 8589689
2-[2-oxo-2-(1-phenylethylamino)ethoxy]-N-(1-phenylethyl)acetamide
CID 85140182
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8610955
2-methoxy-N-[(1S)-1-phenylethyl]acetamide
CID 835320
[2-(2-methylpropylamino)-2-oxoethyl] 1-acetyl-4-phenylpiperidine-4-carboxylate
CID 8526930

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate (CID 2113866) is [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate is C[C@@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate?
The InChIKey is GENGDIIQOZAEMT-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H21NO3/c1-15(16-8-4-2-5-9-16)21-18(22)14-24-19(23)20(12-13-20)17-10-6-3-7-11-17/h2-11,15H,12-14H2,1H3,(H,21,22)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate?
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate is sourced from PubChem (CID 2113866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).