methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride

C10H20ClNO2 — CID 155858326

IUPACmethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC(C(C)(C)C)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(2,3)7-5-10(11,6-7)8(12)13-4;/h7H,5-6,11H2,1-4H3;1H
InChIKeyANHHVNUARNZRCQ-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.73
Rot. Bonds1

About methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride

methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 155858326) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
PubChem CID155858326
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Namemethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)CC(C(C)(C)C)C1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-9(2,3)7-5-10(11,6-7)8(12)13-4;/h7H,5-6,11H2,1-4H3;1H
InChIKeyANHHVNUARNZRCQ-UHFFFAOYSA-N
XLogP1.73
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-methyl (1R,2S)-1-amino-2-(propan-2-yl)cyclopropane-1-carboxylate hydrochloride
CID 146155234
Methyl 2-aminospiro(3.3)heptane-2-carboxylate hydrochloride
CID 121207563
Methyl 1-amino-3,3-dimethylcyclobutane-1-carboxylate hydrochloride
CID 132372708
rac-methyl (1R,3S)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
CID 138991439
Methyl 1-amino-3-cyclobutylcyclobutane-1-carboxylate hydrochloride
CID 138991482
1-Amino-3-tert-butylcyclobutane-1-carboxylic acid hydrochloride
CID 138991533
Ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate hydrochloride
CID 138991548
Methyl 2-amino-7-oxaspiro[3.5]nonane-2-carboxylate hydrochloride
CID 146082499
Methyl 2-amino-2-cyclobutylpropanoate hydrochloride
CID 154577542
Methyl1-aminospiro[3.3]heptane-1-carboxylatehydrochloride
CID 165692795
Methyl 5-aminospiro[2.3]hexane-5-carboxylate hydrochloride
CID 176451573
Methyl 2-amino-3-cyclobutyl-2-methylpropanoate hydrochloride
CID 177799591

Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride (CID 155858326) is methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride is COC(=O)C1(N)CC(C(C)(C)C)C1.Cl.
What is the InChIKey of methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is ANHHVNUARNZRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-9(2,3)7-5-10(11,6-7)8(12)13-4;/h7H,5-6,11H2,1-4H3;1H.
What are the key properties of methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride?
methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-tert-butylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 155858326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).