(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride

C9H10Cl3NO2 — CID 68715954

IUPAC(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5;/h2-4H,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyRUMSGSSMUMGJTO-FVGYRXGTSA-N
MW270.54 g/mol
LogP2.67
Rot. Bonds2

About (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride

(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride (PubChem CID 68715954) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
PubChem CID68715954
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(Cl)c1.Cl
InChIInChI=1S/C9H9Cl2NO2.ClH/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5;/h2-4H,12H2,1H3,(H,13,14);1H/t9-;/m0./s1
InChIKeyRUMSGSSMUMGJTO-FVGYRXGTSA-N
XLogP2.67
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
CID 130701560
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157
2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-(3,4-dichlorophenyl)-2-methylpropanoate
CID 51664096
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
2-(3,4-dichlorophenyl)-2-formamidopropanoic acid
CID 63689862

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride (CID 68715954) is (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride is C[C@@](N)(C(=O)O)c1ccc(Cl)c(Cl)c1.Cl.
What is the InChIKey of (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride?
The InChIKey is RUMSGSSMUMGJTO-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H9Cl2NO2.ClH/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5;/h2-4H,12H2,1H3,(H,13,14);1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride?
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride has a molecular weight of 270.54 g/mol, XLogP of 2.67, 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-(3,4-dichlorophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 68715954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).