tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride

C14H23ClN2O3 — CID 86767626

IUPACtert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
SMILESCOc1cccc(C(N)CNC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyQSHPQWQTTWDLTM-UHFFFAOYSA-N
MW302.80 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride

tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride (PubChem CID 86767626) has the molecular formula C14H23ClN2O3 and a molecular weight of 302.80 g/mol. Its IUPAC name is tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
PubChem CID86767626
Molecular FormulaC14H23ClN2O3
Molecular Weight302.80 g/mol
Exact Mass302.14
IUPAC Nametert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride
SMILESCOc1cccc(C(N)CNC(=O)OC(C)(C)C)c1.Cl
InChIInChI=1S/C14H22N2O3.ClH/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H
InChIKeyQSHPQWQTTWDLTM-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.80
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2S)-2-amino-2-(3-iodophenyl)ethyl]carbamate
CID 99909259
tert-butyl (3S)-3-amino-3-(3-methoxyphenyl)propanoate
CID 54039799
tert-butyl N-[3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]propyl]carbamate
CID 103821967
tert-butyl N-[(2R)-2-amino-2-(2,6-dimethoxyphenyl)ethyl]carbamate
CID 99909254
tert-butyl N-[(1R)-1-(3-methoxyphenyl)ethyl]carbamate
CID 56955216
tert-butyl N-[1-[amino-(3-methoxyphenyl)methyl]cyclopropyl]carbamate
CID 115052979
methyl (3R)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 72737084
methyl 4-[(1R)-1-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]benzoate
CID 51601300
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
(3S)-3-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7010245
tert-butyl N-[(2S)-1-hydroxy-1-(3-methoxyphenyl)propan-2-yl]carbamate
CID 70799961
(2S)-2-[(3-methoxyphenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 25417738

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride (CID 86767626) is tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride is COc1cccc(C(N)CNC(=O)OC(C)(C)C)c1.Cl.
What is the InChIKey of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride?
The InChIKey is QSHPQWQTTWDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3.ClH/c1-14(2,3)19-13(17)16-9-12(15)10-6-5-7-11(8-10)18-4;/h5-8,12H,9,15H2,1-4H3,(H,16,17);1H.
What are the key properties of tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride?
tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride has a molecular weight of 302.80 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-amino-2-(3-methoxyphenyl)ethyl]carbamate;hydrochloride is sourced from PubChem (CID 86767626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).