tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride

C13H19Cl2NO2 — CID 138401045

IUPACtert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(C)(N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H18ClNO2.ClH/c1-12(2,3)17-11(16)13(4,15)9-6-5-7-10(14)8-9;/h5-8H,15H2,1-4H3;1H
InChIKeyPOLQTYGQQXYARV-UHFFFAOYSA-N
MW292.21 g/mol
LogP3.28
Rot. Bonds2

About tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride

tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride (PubChem CID 138401045) has the molecular formula C13H19Cl2NO2 and a molecular weight of 292.21 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
PubChem CID138401045
Molecular FormulaC13H19Cl2NO2
Molecular Weight292.21 g/mol
Exact Mass291.08
IUPAC Nametert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
SMILESCC(C)(C)OC(=O)C(C)(N)c1cccc(Cl)c1.Cl
InChIInChI=1S/C13H18ClNO2.ClH/c1-12(2,3)17-11(16)13(4,15)9-6-5-7-10(14)8-9;/h5-8H,15H2,1-4H3;1H
InChIKeyPOLQTYGQQXYARV-UHFFFAOYSA-N
XLogP3.28
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride 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-(3-chlorophenyl)-3-hydroxy-2-methylbutanoate
CID 66338727
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
ethyl 2-(3-chlorophenyl)-2,3-dimethylbutanoate
CID 117047944
[2-(3-chlorophenyl)-1-methoxypropan-2-yl] carbamate
CID 175520847
methyl 4-amino-3-(3-chlorophenyl)-3,4-dimethylpentanoate
CID 66098598
tert-butyl (2S)-2-(4-chlorophenyl)-2-hydroxy-2-phenylacetate
CID 138979093
1-chloro-3-(1,1-dibromoethyl)benzene
CID 15877621
(2R)-2-amino-2-(3-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393513
tert-butyl N,N-bis(3-chlorophenyl)carbamate
CID 139244881
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride?
The IUPAC name of tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride (CID 138401045) is tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride.
What is the SMILES notation for tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride?
The canonical SMILES for tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride is CC(C)(C)OC(=O)C(C)(N)c1cccc(Cl)c1.Cl.
What is the InChIKey of tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride?
The InChIKey is POLQTYGQQXYARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2.ClH/c1-12(2,3)17-11(16)13(4,15)9-6-5-7-10(14)8-9;/h5-8H,15H2,1-4H3;1H.
What are the key properties of tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride?
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride has a molecular weight of 292.21 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 138401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).