(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride

C8H8Cl3NO2 — CID 162344171

IUPAC(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
SMILESCl.N[C@H](C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c9-4-2-1-3-5(10)6(4)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H/t7-;/m0./s1
InChIKeyHIAZDGJYMLDCOZ-FJXQXJEOSA-N
MW256.52 g/mol
LogP2.50
Rot. Bonds2

About (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride

(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride (PubChem CID 162344171) has the molecular formula C8H8Cl3NO2 and a molecular weight of 256.52 g/mol. Its IUPAC name is (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
PubChem CID162344171
Molecular FormulaC8H8Cl3NO2
Molecular Weight256.52 g/mol
Exact Mass254.96
IUPAC Name(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride
SMILESCl.N[C@H](C(=O)O)c1c(Cl)cccc1Cl
InChIInChI=1S/C8H7Cl2NO2.ClH/c9-4-2-1-3-5(10)6(4)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H/t7-;/m0./s1
InChIKeyHIAZDGJYMLDCOZ-FJXQXJEOSA-N
XLogP2.50
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.52
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
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methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
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CID 171217423
2-amino-2-(4-chloro-2-methyl-1-propan-2-ylindol-3-yl)acetic acid
CID 115072913
(2R)-2-amino-N-[2-(2,6-dichlorophenyl)propyl]propanamide;hydrochloride
CID 119315009
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
2-(2-chloro-6-hydroxyphenyl)propanoic acid
CID 84733802
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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride (CID 162344171) is (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride is Cl.N[C@H](C(=O)O)c1c(Cl)cccc1Cl.
What is the InChIKey of (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride?
The InChIKey is HIAZDGJYMLDCOZ-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H7Cl2NO2.ClH/c9-4-2-1-3-5(10)6(4)7(11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride?
(2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride has a molecular weight of 256.52 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2,6-dichlorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 162344171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).