tert-butyl 2-(cyclobutylamino)acetate;hydrochloride

C10H20ClNO2 — CID 122156758

IUPACtert-butyl 2-(cyclobutylamino)acetate;hydrochloride
SMILESCC(C)(C)OC(=O)CNC1CCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)7-11-8-5-4-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyDLNQIBGBMKEYBB-UHFFFAOYSA-N
MW221.73 g/mol
LogP1.89
Rot. Bonds3

About tert-butyl 2-(cyclobutylamino)acetate;hydrochloride

tert-butyl 2-(cyclobutylamino)acetate;hydrochloride (PubChem CID 122156758) has the molecular formula C10H20ClNO2 and a molecular weight of 221.73 g/mol. Its IUPAC name is tert-butyl 2-(cyclobutylamino)acetate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-(cyclobutylamino)acetate;hydrochloride
PubChem CID122156758
Molecular FormulaC10H20ClNO2
Molecular Weight221.73 g/mol
Exact Mass221.12
IUPAC Nametert-butyl 2-(cyclobutylamino)acetate;hydrochloride
SMILESCC(C)(C)OC(=O)CNC1CCC1.Cl
InChIInChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)7-11-8-5-4-6-8;/h8,11H,4-7H2,1-3H3;1H
InChIKeyDLNQIBGBMKEYBB-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.73
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclobutylamino)acetate;hydrochloride?
The IUPAC name of tert-butyl 2-(cyclobutylamino)acetate;hydrochloride (CID 122156758) is tert-butyl 2-(cyclobutylamino)acetate;hydrochloride.
What is the SMILES notation for tert-butyl 2-(cyclobutylamino)acetate;hydrochloride?
The canonical SMILES for tert-butyl 2-(cyclobutylamino)acetate;hydrochloride is CC(C)(C)OC(=O)CNC1CCC1.Cl.
What is the InChIKey of tert-butyl 2-(cyclobutylamino)acetate;hydrochloride?
The InChIKey is DLNQIBGBMKEYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.ClH/c1-10(2,3)13-9(12)7-11-8-5-4-6-8;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of tert-butyl 2-(cyclobutylamino)acetate;hydrochloride?
tert-butyl 2-(cyclobutylamino)acetate;hydrochloride has a molecular weight of 221.73 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclobutylamino)acetate;hydrochloride is sourced from PubChem (CID 122156758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).