methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride

C10H11Cl3FNO2 — CID 171251582

IUPACmethyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(Cl)ccc(Cl)c1F.Cl
InChIInChI=1S/C10H10Cl2FNO2.ClH/c1-16-8(15)4-7(14)9-5(11)2-3-6(12)10(9)13;/h2-3,7H,4,14H2,1H3;1H/t7-;/m1./s1
InChIKeyXZHBIIFNDZVVEF-OGFXRTJISA-N
MW302.56 g/mol
LogP3.12
Rot. Bonds3

About methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride

methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride (PubChem CID 171251582) has the molecular formula C10H11Cl3FNO2 and a molecular weight of 302.56 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
PubChem CID171251582
Molecular FormulaC10H11Cl3FNO2
Molecular Weight302.56 g/mol
Exact Mass300.98
IUPAC Namemethyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1c(Cl)ccc(Cl)c1F.Cl
InChIInChI=1S/C10H10Cl2FNO2.ClH/c1-16-8(15)4-7(14)9-5(11)2-3-6(12)10(9)13;/h2-3,7H,4,14H2,1H3;1H/t7-;/m1./s1
InChIKeyXZHBIIFNDZVVEF-OGFXRTJISA-N
XLogP3.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.56
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)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

methyl (3R)-3-amino-3-(6-chloro-2-fluoro-3-methylphenyl)propanoate
CID 171249430
ethyl (3S)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride
CID 171235294
methyl (3S)-3-amino-3-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]propanoate
CID 171242740
ethyl (3S)-3-amino-3-(3-chloro-2,6-difluorophenyl)propanoate;hydrochloride
CID 171228607
methyl (3S)-3-amino-3-(2,3,6-trifluorophenyl)propanoate
CID 171241363
methyl (2S)-2-amino-2-(3,6-dichloro-2-fluorophenyl)acetate
CID 131503024
methyl (3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoate
CID 78974753
methyl 3-amino-3-(3,4-dichlorophenyl)propanoate;hydrochloride
CID 44630877
(1S)-1-(3,6-dichloro-2-fluorophenyl)-2-fluoroethanamine;hydrochloride
CID 171215618
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
ethyl (3S)-3-amino-3-(2,3,6-trichlorophenyl)propanoate;hydrochloride
CID 171232414
methyl (2R)-2-amino-2-(3-chloro-2,6-difluorophenyl)acetate;hydrochloride
CID 171228604

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride (CID 171251582) is methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride is COC(=O)C[C@@H](N)c1c(Cl)ccc(Cl)c1F.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride?
The InChIKey is XZHBIIFNDZVVEF-OGFXRTJISA-N. The full InChI is InChI=1S/C10H10Cl2FNO2.ClH/c1-16-8(15)4-7(14)9-5(11)2-3-6(12)10(9)13;/h2-3,7H,4,14H2,1H3;1H/t7-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride?
methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride has a molecular weight of 302.56 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(3,6-dichloro-2-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 171251582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).