methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride

C10H12Cl2FNO2 — CID 131879457

IUPACmethyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-15-10(14)9(13)5-6-2-3-8(12)7(11)4-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1
InChIKeyRVRVQRPHGLKMOU-SBSPUUFOSA-N
MW268.12 g/mol
LogP1.94
Rot. Bonds3

About methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride (PubChem CID 131879457) has the molecular formula C10H12Cl2FNO2 and a molecular weight of 268.12 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride
PubChem CID131879457
Molecular FormulaC10H12Cl2FNO2
Molecular Weight268.12 g/mol
Exact Mass267.02
IUPAC Namemethyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1ccc(F)c(Cl)c1.Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-15-10(14)9(13)5-6-2-3-8(12)7(11)4-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1
InChIKeyRVRVQRPHGLKMOU-SBSPUUFOSA-N
XLogP1.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride (CID 131879457) is methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1ccc(F)c(Cl)c1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride?
The InChIKey is RVRVQRPHGLKMOU-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11ClFNO2.ClH/c1-15-10(14)9(13)5-6-2-3-8(12)7(11)4-6;/h2-4,9H,5,13H2,1H3;1H/t9-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride has a molecular weight of 268.12 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(3-chloro-4-fluorophenyl)propanoate;hydrochloride is sourced from PubChem (CID 131879457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).