benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate

C17H17NO3 — CID 59710465

IUPACbenzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate
SMILESO=CC[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1
InChIKeyFYCDXSYDSNLCLK-INIZCTEOSA-N
MW283.33 g/mol
LogP3.24
Rot. Bonds6

About benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate

benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate (PubChem CID 59710465) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate
PubChem CID59710465
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Namebenzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate
SMILESO=CC[C@H](NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C17H17NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1
InChIKeyFYCDXSYDSNLCLK-INIZCTEOSA-N
XLogP3.24
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Mdl-28170
CID 72430
(3S)-3-Benzyloxycarbonylamino-1-chloro-4-phenyl-2-butanone
CID 99625
Benzyloxycarbonyl-L-phenylalanine
CID 70878
(1-(1-Methyl-4,5-Dioxo-Pent-2-Enylcarbamoyl)-2-Phenyl-Ethyl)-Carbamic Acid Benzyl Ester
CID 5287438
Benzyl 6-methyl-2-oxo-4-phenyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2836941
benzyl N-({2-methyl-2-[(propan-2-yl)carbamoyl]cyclopropyl}(phenyl)methyl)carbamate
CID 56947089
N-benzyloxycarbonyl-DL-3-phenylalanine
CID 100081
N-(Benzyloxycarbonyl)-D-phenylalanine
CID 675678
(S)-benzyl 1-(2-benzyl-2-cyano-1-methylhydrazinyl)-1-oxo-3-phenylpropan-2-ylcarbamate
CID 24898024
[(S)-1-((S)-1-Benzyl-2-oxo-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester
CID 455772
[1-(1-Formyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethyl]-carbamic acid benzyl ester(Cbz-Phe-Phe-CHO)
CID 44342482
Benzyl 1-phenylethylcarbamate
CID 9837961

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate?
The IUPAC name of benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate (CID 59710465) is benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate is O=CC[C@H](NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate?
The InChIKey is FYCDXSYDSNLCLK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H17NO3/c19-12-11-16(15-9-5-2-6-10-15)18-17(20)21-13-14-7-3-1-4-8-14/h1-10,12,16H,11,13H2,(H,18,20)/t16-/m0/s1.
What are the key properties of benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate?
benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate has a molecular weight of 283.33 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-3-oxo-1-phenylpropyl]carbamate is sourced from PubChem (CID 59710465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).