tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate

C17H23NO3Se — CID 71746734

IUPACtert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CCc1c[se]c2ccccc12
InChIInChI=1S/C17H23NO3Se/c1-17(2,3)21-16(20)18-13(10-19)9-8-12-11-22-15-7-5-4-6-14(12)15/h4-7,11,13,19H,8-10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyPHMWHRISPPEDHT-CYBMUJFWSA-N
MW368.34 g/mol
LogP2.71
Rot. Bonds5

About tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate

tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate (PubChem CID 71746734) has the molecular formula C17H23NO3Se and a molecular weight of 368.34 g/mol. Its IUPAC name is tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate
PubChem CID71746734
Molecular FormulaC17H23NO3Se
Molecular Weight368.34 g/mol
Exact Mass369.08
IUPAC Nametert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](CO)CCc1c[se]c2ccccc12
InChIInChI=1S/C17H23NO3Se/c1-17(2,3)21-16(20)18-13(10-19)9-8-12-11-22-15-7-5-4-6-14(12)15/h4-7,11,13,19H,8-10H2,1-3H3,(H,18,20)/t13-/m1/s1
InChIKeyPHMWHRISPPEDHT-CYBMUJFWSA-N
XLogP2.71
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[1-[2-(hydroxymethyl)phenyl]-5-phenylpentan-3-yl]carbamate
CID 140983151
tert-butyl N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]carbamate
CID 20744818
tert-butyl N-[1-amino-4-(2-hydroxyphenyl)butan-2-yl]carbamate
CID 84730429
tert-butyl N-(1-hydroxy-5,6-diphenylhexan-2-yl)carbamate
CID 19082099
tert-butyl N-[(2S)-1-(1-benzofuran-3-yl)-3-hydroxypropan-2-yl]carbamate
CID 140937790
tert-butyl N-(1-hydroxy-3-naphthalen-1-ylpropan-2-yl)carbamate;ethoxymethoxyethane
CID 70370260
tert-butyl N-[(2S)-1-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]indol-3-yl]propan-2-yl]carbamate
CID 177310312
tert-butyl N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]carbamate;sulfane
CID 159653133
tert-butyl N-[4-[2-chloro-4-(3-methylphenyl)sulfanylphenyl]-1-hydroxybutan-2-yl]carbamate
CID 71015945
tert-butyl N-(1,3-dihydroxypropan-2-yl)carbamate;methanesulfonic acid
CID 86663657
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
tert-butyl N-(5,5,5-trifluoro-1-hydroxypentan-2-yl)carbamate
CID 86710332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate (CID 71746734) is tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](CO)CCc1c[se]c2ccccc12.
What is the InChIKey of tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate?
The InChIKey is PHMWHRISPPEDHT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23NO3Se/c1-17(2,3)21-16(20)18-13(10-19)9-8-12-11-22-15-7-5-4-6-14(12)15/h4-7,11,13,19H,8-10H2,1-3H3,(H,18,20)/t13-/m1/s1.
What are the key properties of tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate?
tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate has a molecular weight of 368.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-4-(1-benzoselenophen-3-yl)-1-hydroxybutan-2-yl]carbamate is sourced from PubChem (CID 71746734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).