benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate

C19H23NO3 — CID 58748908

IUPACbenzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
SMILESC[C@@H](Cc1cccc([C@@H](C)O)c1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(11-17-9-6-10-18(12-17)15(2)21)20-19(22)23-13-16-7-4-3-5-8-16/h3-10,12,14-15,21H,11,13H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyMUPLNNBNTCPPSN-LSDHHAIUSA-N
MW313.40 g/mol
LogP3.60
Rot. Bonds6

About benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate

benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate (PubChem CID 58748908) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
PubChem CID58748908
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Namebenzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate
SMILESC[C@@H](Cc1cccc([C@@H](C)O)c1)NC(=O)OCc1ccccc1
InChIInChI=1S/C19H23NO3/c1-14(11-17-9-6-10-18(12-17)15(2)21)20-19(22)23-13-16-7-4-3-5-8-16/h3-10,12,14-15,21H,11,13H2,1-2H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyMUPLNNBNTCPPSN-LSDHHAIUSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl N-[(2S)-1-[3-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl]propan-2-yl]carbamate
CID 58748895
benzyl N-[(2R)-1-[4-[(2S)-2,3-dihydroxypropyl]phenyl]propan-2-yl]carbamate
CID 59963897
benzyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 11631115
benzyl N-[(2R)-1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 170556242
benzyl N-[1-(4-methoxy-3-sulfamoylphenyl)propan-2-yl]carbamate
CID 175508345
CID 121288754
CID 121288754
benzyl N-[(1S)-1-(3-fluorophenyl)ethyl]carbamate
CID 130581025
benzyl N-[1-(2-phenylmethoxyethoxy)propan-2-yl]carbamate
CID 146517395
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
[(2S)-1-[3-[(1S)-1-aminoethyl]phenyl]propan-2-yl]carbamic acid
CID 68872391
benzyl N-[(2S)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamate
CID 18108336
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate (CID 58748908) is benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate is C[C@@H](Cc1cccc([C@@H](C)O)c1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate?
The InChIKey is MUPLNNBNTCPPSN-LSDHHAIUSA-N. The full InChI is InChI=1S/C19H23NO3/c1-14(11-17-9-6-10-18(12-17)15(2)21)20-19(22)23-13-16-7-4-3-5-8-16/h3-10,12,14-15,21H,11,13H2,1-2H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate?
benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate has a molecular weight of 313.40 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-1-[3-[(1R)-1-hydroxyethyl]phenyl]propan-2-yl]carbamate is sourced from PubChem (CID 58748908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).