benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate

C19H21NO3 — CID 90679319

IUPACbenzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
SMILESC=COC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-22-15-18(13-16-9-5-3-6-10-16)20-19(21)23-14-17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,20,21)/t18-/m0/s1
InChIKeyOGLJVMWCCOKILR-SFHVURJKSA-N
MW311.38 g/mol
LogP3.68
Rot. Bonds8

About benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate (PubChem CID 90679319) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
PubChem CID90679319
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Namebenzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
SMILESC=COC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H21NO3/c1-2-22-15-18(13-16-9-5-3-6-10-16)20-19(21)23-14-17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,20,21)/t18-/m0/s1
InChIKeyOGLJVMWCCOKILR-SFHVURJKSA-N
XLogP3.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

Benzyloxycarbonyl-L-phenylalanine
CID 70878
Enpromate
CID 24912
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
Benzyl 1-phenylethylcarbamate
CID 9837961
Ethyl ((2-(((benzyloxy)carbonyl)amino)-3-phenylpropanoyl)amino)acetate
CID 381816
(S)-Benzyl (1-amino-1-oxo-3-phenylpropan-2-yl)carbamate
CID 2755911
Ethyl ((benzyloxy)carbonyl)-L-phenylalanylglycinate
CID 12628842
N-carbobenzoxy-L-phenylalanilol
CID 853481
Alanine, N-benzyloxycarbonyl-3-phenyl-, cyanomethyl ester, L-
CID 24313
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate (CID 90679319) is benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate is C=COC[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate?
The InChIKey is OGLJVMWCCOKILR-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21NO3/c1-2-22-15-18(13-16-9-5-3-6-10-16)20-19(21)23-14-17-11-7-4-8-12-17/h2-12,18H,1,13-15H2,(H,20,21)/t18-/m0/s1.
What are the key properties of benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate has a molecular weight of 311.38 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 90679319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).