2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid

C11H15ClN2O2 — CID 117358774

IUPAC2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1cccc(Cl)c1CC(N)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10-5-3-4-8(12)7(10)6-9(13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16)
InChIKeyHHFUCKYLKUYYOW-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.36
Rot. Bonds4

About 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid

2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid (PubChem CID 117358774) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
PubChem CID117358774
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
SMILESCN(C)c1cccc(Cl)c1CC(N)C(=O)O
InChIInChI=1S/C11H15ClN2O2/c1-14(2)10-5-3-4-8(12)7(10)6-9(13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16)
InChIKeyHHFUCKYLKUYYOW-UHFFFAOYSA-N
XLogP1.36
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
CID 117361170
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175
2-[(2,6-dichlorophenyl)methyl]propanedioic acid
CID 170895382
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
(2S)-2-amino-3-[4-[5-(dimethylamino)naphthalen-1-yl]sulfonylphenyl]propanoic acid
CID 152551518
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
3-(2-amino-2-carboxyethyl)-7-chloro-1-benzofuran-2-carboxylic acid
CID 15324757
(2S)-2-amino-3-[3-(dimethylamino)phenyl]propanoic acid;dihydrochloride
CID 22950701
2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]-3,5-diiodophenyl]propanoic acid
CID 22035602
4-(2,6-dichlorophenyl)-2,3-dimethylbutanoic acid
CID 81009397
2-amino-N-[(2,6-dichlorophenyl)methyl]-N-methylpropanamide
CID 77144367

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid (CID 117358774) is 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid is CN(C)c1cccc(Cl)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid?
The InChIKey is HHFUCKYLKUYYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14(2)10-5-3-4-8(12)7(10)6-9(13)11(15)16/h3-5,9H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid?
2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid has a molecular weight of 242.71 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid is sourced from PubChem (CID 117358774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).