tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

C15H23NO3 — CID 546012

IUPACtert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)
InChIKeyZYQALWFPRWPODR-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.50
Rot. Bonds4

About tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate

tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (PubChem CID 546012) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
PubChem CID546012
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate
SMILESCC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18)
InChIKeyZYQALWFPRWPODR-UHFFFAOYSA-N
XLogP2.50
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 269698
Di-Tert-Butyl {iminobis[(2s,3s)-3-Hydroxy-1-Phenylbutane-4,2-Diyl]}biscarbamate
CID 447617
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
CID 77857
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-((1R)-2-hydroxy-1-phenylethyl)-, 1,1-dimethylethyl ester
CID 7016461
tert-Butyl {(1S)-1-[(2R)-oxiran-2-yl]-2-phenylethyl}carbamate
CID 9813904
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate
CID 2733675
(2S)-2-((ethoxycarbonyl)amino)-3-phenylpropanoic acid
CID 2817957
(S)-4-Benzyl-2-oxazolidinone
CID 736225
benzyl N-((2S)-1-hydroxybutan-2-yl)carbamate
CID 10263004

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate (CID 546012) is tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
The InChIKey is ZYQALWFPRWPODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(17)13(10-12-8-6-5-7-9-12)16-14(18)19-15(2,3)4/h5-9,11,13,17H,10H2,1-4H3,(H,16,18).
What are the key properties of tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate?
tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate has a molecular weight of 265.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-1-phenylbutan-2-yl)carbamate is sourced from PubChem (CID 546012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).