benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate

C21H23NO2 — CID 10958221

IUPACbenzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate
SMILESC[C@@H](NC1=C(C(=O)OCc2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyXEINCMMNGUPYFT-MRXNPFEDSA-N
MW321.42 g/mol
LogP4.52
Rot. Bonds6

About benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate

benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate (PubChem CID 10958221) has the molecular formula C21H23NO2 and a molecular weight of 321.42 g/mol. Its IUPAC name is benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate
PubChem CID10958221
Molecular FormulaC21H23NO2
Molecular Weight321.42 g/mol
Exact Mass321.17
IUPAC Namebenzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate
SMILESC[C@@H](NC1=C(C(=O)OCc2ccccc2)CCC1)c1ccccc1
InChIInChI=1S/C21H23NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1
InChIKeyXEINCMMNGUPYFT-MRXNPFEDSA-N
XLogP4.52
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Benzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836941
Benzyl 4-(3-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 563608
1,4-Dihydropyridine, 3-carbenzyloxy-5-carbethoxy-6-methyl-2-phenyl-4-styryl-
CID 5368388
1,4-Dihydropyridine, 5-benzyloxycarbonyl-3-ethoxycarbonyl-6-methyl-4-(2-phenylethenyl)-
CID 5368403
(S,E)-3-((S)-1-Benzyloxycarbonyl-2-phenylethylcarbamoyl)-acrylic acid ethyl ester
CID 10619827
Ethyl 4-{[(4-methylbenzyl)amino]methyl}benzoate
CID 5019647
Ethyl 4-[(benzylamino)methyl]benzoate
CID 5053991
Benzyl 3-(6-methoxy-6-oxohexyl)-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 5459622
benzyl (2S)-2-[[(E)-but-2-enoyl]amino]-3-phenylpropanoate
CID 45139927
Benzyl 4-(4-fluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2855413
(4-fluorophenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71552197
(2-methylphenyl)methyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 71552198

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate?
The IUPAC name of benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate (CID 10958221) is benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate.
What is the SMILES notation for benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate?
The canonical SMILES for benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate is C[C@@H](NC1=C(C(=O)OCc2ccccc2)CCC1)c1ccccc1.
What is the InChIKey of benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate?
The InChIKey is XEINCMMNGUPYFT-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H23NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,22H,8,13-15H2,1H3/t16-/m1/s1.
What are the key properties of benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate?
benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate has a molecular weight of 321.42 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[(1R)-1-phenylethyl]amino]cyclopentene-1-carboxylate is sourced from PubChem (CID 10958221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).