cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate

C23H27NO4 — CID 177124623

IUPACcyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
SMILESO=C(CC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OC1CCC1
InChIInChI=1S/C23H27NO4/c25-22(28-21-12-7-13-21)15-14-20(16-18-8-3-1-4-9-18)24-23(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,24,26)/t20-/m0/s1
InChIKeyQCGSHROBGFXRFZ-FQEVSTJZSA-N
MW381.47 g/mol
LogP4.40
Rot. Bonds9

About cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate

cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 177124623) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Namecyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
PubChem CID177124623
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Namecyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate
SMILESO=C(CC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OC1CCC1
InChIInChI=1S/C23H27NO4/c25-22(28-21-12-7-13-21)15-14-20(16-18-8-3-1-4-9-18)24-23(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,24,26)/t20-/m0/s1
InChIKeyQCGSHROBGFXRFZ-FQEVSTJZSA-N
XLogP4.40
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate 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

1-O-benzyl 5-O-cyclohexyl 2-aminopentanedioate
CID 75982869
cyclopentyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 171836039
benzyl N-(1-cyclobutyloxy-3-hydroxypropan-2-yl)carbamate
CID 170167802
cyclohexyl (4S)-4-[[(2S)-5-cyclohexyloxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-5-oxo-5-[(2-oxo-2-phenylmethoxyethyl)amino]pentanoate
CID 10349654
(2S)-3-cyclobutyloxy-2-(phenylmethoxycarbonylamino)propanoic acid
CID 170745120
cyclopentyl 2-[(3-aminophenyl)methoxycarbonylamino]-3-phenylpropanoate
CID 67052665
benzyl N-[(2S)-1-chloro-3-(4-phenylphenyl)propan-2-yl]carbamate
CID 176637453
benzyl N-[1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
CID 85273603
benzyl N-[1-(4-methylpiperidin-1-yl)-3-phenylpropan-2-yl]carbamate
CID 173218035
5-(3-chloro-4-fluorophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid
CID 103775222
cyclohexyl 4-amino-4-phenylbutanoate
CID 61279831
(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propane-1-sulfonic acid
CID 98005835

Frequently Asked Questions

What is the IUPAC name of cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate (CID 177124623) is cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate is O=C(CC[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OC1CCC1.
What is the InChIKey of cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is QCGSHROBGFXRFZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27NO4/c25-22(28-21-12-7-13-21)15-14-20(16-18-8-3-1-4-9-18)24-23(26)27-17-19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17H2,(H,24,26)/t20-/m0/s1.
What are the key properties of cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate?
cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 381.47 g/mol, XLogP of 4.40, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl (4S)-5-phenyl-4-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 177124623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).