tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate

C13H19ClN2O2 — CID 51601253

IUPACtert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyFXBQVCOUHWUKDC-NSHDSACASA-N
MW270.76 g/mol
LogP2.86
Rot. Bonds3

About tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate

tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate (PubChem CID 51601253) has the molecular formula C13H19ClN2O2 and a molecular weight of 270.76 g/mol. Its IUPAC name is tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
PubChem CID51601253
Molecular FormulaC13H19ClN2O2
Molecular Weight270.76 g/mol
Exact Mass270.11
IUPAC Nametert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Cl
InChIInChI=1S/C13H19ClN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1
InChIKeyFXBQVCOUHWUKDC-NSHDSACASA-N
XLogP2.86
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-amino-2-(2-chlorophenyl)propyl]carbamate
CID 84730749
tert-butyl N-[2-(2-chlorophenyl)-3-hydroxypropyl]carbamate
CID 66635358
tert-butyl N-[2-(2,3-dichlorophenyl)-2-hydroxyethyl]carbamate
CID 66635361
tert-butyl N-[2-amino-2-(2,4-difluorophenyl)ethyl]carbamate;hydrochloride
CID 76853764
diethyl 2-[(R)-(2-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]propanedioate
CID 134849780
(3R,4R)-3-amino-4-(2-chlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 29416174
tert-butyl N-[2-[(2,6-dichlorophenyl)methyl]-3-hydroxypropyl]carbamate
CID 106508926
tert-butyl N-[3-[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-3-oxopropyl]carbamate
CID 43044946
ethyl (2S,3R)-3-(2-chlorophenyl)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 100995159
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
methyl (3R)-3-(2-chlorophenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 91018494
tert-butyl N-[1-(2-chlorophenyl)-2-(methanesulfonamido)ethyl]carbamate
CID 59536886

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate (CID 51601253) is tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate is CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1Cl.
What is the InChIKey of tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate?
The InChIKey is FXBQVCOUHWUKDC-NSHDSACASA-N. The full InChI is InChI=1S/C13H19ClN2O2/c1-13(2,3)18-12(17)16-8-11(15)9-6-4-5-7-10(9)14/h4-7,11H,8,15H2,1-3H3,(H,16,17)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate?
tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate has a molecular weight of 270.76 g/mol, XLogP of 2.86, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R)-2-amino-2-(2-chlorophenyl)ethyl]carbamate is sourced from PubChem (CID 51601253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).