benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate

C18H19NO3 — CID 5289617

IUPACbenzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)17(12-15-8-4-2-5-9-15)19-18(21)22-13-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXKRFOEGCACICFY-QGZVFWFLSA-N
MW297.35 g/mol
LogP3.11
Rot. Bonds6

About benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate

benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate (PubChem CID 5289617) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
PubChem CID5289617
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Namebenzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate
SMILESCC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H19NO3/c1-14(20)17(12-15-8-4-2-5-9-15)19-18(21)22-13-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,21)/t17-/m1/s1
InChIKeyXKRFOEGCACICFY-QGZVFWFLSA-N
XLogP3.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
benzyl 3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 4283517
(2S)-3-oxo-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid
CID 102188750
(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 6920101
[(3S)-2-oxo-4-phenyl-3-(phenylmethoxycarbonylamino)butyl] acetate
CID 139854749
benzyl N-[(2S)-1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]carbamate
CID 177394473
benzyl N-(4,4-dimethyl-3-oxo-1-phenylpentan-2-yl)carbamate
CID 59862824
sodium (2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoate
CID 23678665
methyl 3-phenyl-2-[(4-phenylphenyl)methoxycarbonylamino]propanoate
CID 12990920
benzyl N-[(2S)-1-oxo-3-phenyl-1-[16-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hexadecylamino]propan-2-yl]carbamate
CID 71491760
benzyl N-[(2S)-1-oxo-3-phenyl-1-[10-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]decylamino]propan-2-yl]carbamate
CID 99653330
benzyl N-(5-methyl-3-oxo-1-phenylhexan-2-yl)carbamate
CID 70447472

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate (CID 5289617) is benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate is CC(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
The InChIKey is XKRFOEGCACICFY-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(20)17(12-15-8-4-2-5-9-15)19-18(21)22-13-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,21)/t17-/m1/s1.
What are the key properties of benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate?
benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate has a molecular weight of 297.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2R)-3-oxo-1-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 5289617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).