benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate

C18H21NO3 — CID 11208783

IUPACbenzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@@](C)(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(20)18(2,16-11-7-4-8-12-16)19-17(21)22-13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyKYZKSDGXCOKPNG-RDTXWAMCSA-N
MW299.37 g/mol
LogP3.21
Rot. Bonds5

About benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate

benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate (PubChem CID 11208783) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
PubChem CID11208783
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC Namebenzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate
SMILESC[C@@H](O)[C@@](C)(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO3/c1-14(20)18(2,16-11-7-4-8-12-16)19-17(21)22-13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,19,21)/t14-,18-/m1/s1
InChIKeyKYZKSDGXCOKPNG-RDTXWAMCSA-N
XLogP3.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2R,4R)-2,4-dihydroxy-3-methylpentan-3-yl]carbamate
CID 139247228
(3R)-4-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)pentanoic acid
CID 118276566
(2R)-2-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid
CID 54087673
(3S)-3,5-dimethyl-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 54094941
benzyl N-(1-amino-4-fluoro-2-methylpentan-2-yl)carbamate
CID 126765970
lithium benzyl N-(2-methylbut-3-yn-2-yl)carbamate
CID 87939839
benzyl N-(anilino-fluoro-phenylmethyl)carbamate
CID 4591645
benzyl N-[2-(3-bromophenyl)propan-2-yl]carbamate
CID 58641875
tert-butyl (2S,3R)-3-hydroxy-4-methyl-2-(phenylmethoxycarbonylamino)-2-propan-2-ylpentanoate
CID 11068916
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
2-[2-methyl-2-(phenylmethoxycarbonylamino)propylidene]propanedioic acid
CID 68666360

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate (CID 11208783) is benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate is C[C@@H](O)[C@@](C)(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate?
The InChIKey is KYZKSDGXCOKPNG-RDTXWAMCSA-N. The full InChI is InChI=1S/C18H21NO3/c1-14(20)18(2,16-11-7-4-8-12-16)19-17(21)22-13-15-9-5-3-6-10-15/h3-12,14,20H,13H2,1-2H3,(H,19,21)/t14-,18-/m1/s1.
What are the key properties of benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate?
benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S,3R)-3-hydroxy-2-phenylbutan-2-yl]carbamate is sourced from PubChem (CID 11208783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).