tert-butyl 3-aminopropanoate;dihydrochloride

C7H17Cl2NO2 — CID 23084141

IUPACtert-butyl 3-aminopropanoate;dihydrochloride
SMILESCC(C)(C)OC(=O)CCN.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-7(2,3)10-6(9)4-5-8;;/h4-5,8H2,1-3H3;2*1H
InChIKeyDYDIPNBUAARSJR-UHFFFAOYSA-N
MW218.12 g/mol
LogP1.52
Rot. Bonds2

About tert-butyl 3-aminopropanoate;dihydrochloride

tert-butyl 3-aminopropanoate;dihydrochloride (PubChem CID 23084141) has the molecular formula C7H17Cl2NO2 and a molecular weight of 218.12 g/mol. Its IUPAC name is tert-butyl 3-aminopropanoate;dihydrochloride.

Molecular Properties

Compound Nametert-butyl 3-aminopropanoate;dihydrochloride
PubChem CID23084141
Molecular FormulaC7H17Cl2NO2
Molecular Weight218.12 g/mol
Exact Mass217.06
IUPAC Nametert-butyl 3-aminopropanoate;dihydrochloride
SMILESCC(C)(C)OC(=O)CCN.Cl.Cl
InChIInChI=1S/C7H15NO2.2ClH/c1-7(2,3)10-6(9)4-5-8;;/h4-5,8H2,1-3H3;2*1H
InChIKeyDYDIPNBUAARSJR-UHFFFAOYSA-N
XLogP1.52
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-aminopropanoate;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-Butyl 3-aminopropanoate
CID 4192171
Tert-butyl 3-aminopropanoate hydrochloride
CID 16218890
Tert-butyl 3-amino-2,2-dimethylpropanoate
CID 15430260
tert-Butyl 3-amino-2-methylpropionate
CID 14557403
Propan-2-yl 3-amino-2-methylpropanoate hydrochloride
CID 54595850
tert-butyl (3S)-3-aminobutanoate hydrochloride
CID 46735263
Tert-butyl 3-aminobutanoate hydrochloride
CID 50988113
Tert-butyl 3-amino-2-methylpropanoate hydrochloride
CID 122163749
2-Tert-butoxycarbonyl aminopropylamine
CID 57264254
Tert-butyl 3-amino-3-fluoropropanoate
CID 174340385
Tert-butyl 2-(aminomethyl)-3-fluoropropanoate
CID 105436896
Tert-butyl (2S)-3-amino-2-fluoropropanoate
CID 137942121

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-aminopropanoate;dihydrochloride?
The IUPAC name of tert-butyl 3-aminopropanoate;dihydrochloride (CID 23084141) is tert-butyl 3-aminopropanoate;dihydrochloride.
What is the SMILES notation for tert-butyl 3-aminopropanoate;dihydrochloride?
The canonical SMILES for tert-butyl 3-aminopropanoate;dihydrochloride is CC(C)(C)OC(=O)CCN.Cl.Cl.
What is the InChIKey of tert-butyl 3-aminopropanoate;dihydrochloride?
The InChIKey is DYDIPNBUAARSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.2ClH/c1-7(2,3)10-6(9)4-5-8;;/h4-5,8H2,1-3H3;2*1H.
What are the key properties of tert-butyl 3-aminopropanoate;dihydrochloride?
tert-butyl 3-aminopropanoate;dihydrochloride has a molecular weight of 218.12 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-aminopropanoate;dihydrochloride is sourced from PubChem (CID 23084141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).