[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate

C22H25NO3 — CID 7455392

IUPAC[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-17(18-10-4-2-5-11-18)23-20(24)16-26-21(25)22(14-8-9-15-22)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVWCUMAQNLMNSCA-KRWDZBQOSA-N
MW351.45 g/mol
LogP3.92
Rot. Bonds6

About [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate

[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate (PubChem CID 7455392) has the molecular formula C22H25NO3 and a molecular weight of 351.45 g/mol. Its IUPAC name is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
PubChem CID7455392
Molecular FormulaC22H25NO3
Molecular Weight351.45 g/mol
Exact Mass351.18
IUPAC Name[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate
SMILESC[C@H](NC(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccccc1
InChIInChI=1S/C22H25NO3/c1-17(18-10-4-2-5-11-18)23-20(24)16-26-21(25)22(14-8-9-15-22)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24)/t17-/m0/s1
InChIKeyVWCUMAQNLMNSCA-KRWDZBQOSA-N
XLogP3.92
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-(1-phenylethylamino)ethyl] 1-phenylcyclopentane-1-carboxylate
CID 18075665
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 1-phenylcyclopropane-1-carboxylate
CID 2113866
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8610955
[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-[[(2R,3R)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl] 1-phenylcyclopropane-1-carboxylate
CID 8641485
2-methylpropyl 1-phenylcyclohexane-1-carboxylate
CID 162502203
[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl] 1-phenylcyclopentane-1-carboxylate
CID 8807699
(2-anilino-2-oxoethyl) 1-phenylcyclobutane-1-carboxylate
CID 27097179
[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl] 1-phenylcyclobutane-1-carboxylate
CID 27097419

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate?
The IUPAC name of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate (CID 7455392) is [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate?
The canonical SMILES for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate is C[C@H](NC(=O)COC(=O)C1(c2ccccc2)CCCC1)c1ccccc1.
What is the InChIKey of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate?
The InChIKey is VWCUMAQNLMNSCA-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H25NO3/c1-17(18-10-4-2-5-11-18)23-20(24)16-26-21(25)22(14-8-9-15-22)19-12-6-3-7-13-19/h2-7,10-13,17H,8-9,14-16H2,1H3,(H,23,24)/t17-/m0/s1.
What are the key properties of [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate?
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 1-phenylcyclopentane-1-carboxylate is sourced from PubChem (CID 7455392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).