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

C11H14ClNO3 — CID 117361170

IUPAC2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(Cl)c1CC(N)C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-16-6-7-3-2-4-9(12)8(7)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyPITGXXRNPVFAEV-UHFFFAOYSA-N
MW243.69 g/mol
LogP1.44
Rot. Bonds5

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

2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid (PubChem CID 117361170) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
PubChem CID117361170
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid
SMILESCOCc1cccc(Cl)c1CC(N)C(=O)O
InChIInChI=1S/C11H14ClNO3/c1-16-6-7-3-2-4-9(12)8(7)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15)
InChIKeyPITGXXRNPVFAEV-UHFFFAOYSA-N
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-[2-chloro-6-(dimethylamino)phenyl]propanoic acid
CID 117358774
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094
2-amino-3-(2,6-dichlorophenyl)-N-methylpropanamide
CID 22946175
methyl 3-(2-chloro-6-ethylphenyl)-2-methylpropanoate
CID 142833318
methyl (2R)-2-amino-3-(3-chloro-2-fluorophenyl)propanoate
CID 171238083
2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]-3,5-diiodophenyl]propanoic acid
CID 22035602
(2S)-2-amino-N-[(2,6-dichlorophenyl)methyl]propanamide
CID 66568204
2-amino-3-(3-hydroxy-2-methoxyphenyl)propanoic acid
CID 117301143
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
dimethyl 2-[(2,6-dichlorophenyl)methyl]propanedioate
CID 103972399

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid (CID 117361170) is 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid is COCc1cccc(Cl)c1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid?
The InChIKey is PITGXXRNPVFAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c1-16-6-7-3-2-4-9(12)8(7)5-10(13)11(14)15/h2-4,10H,5-6,13H2,1H3,(H,14,15).
What are the key properties of 2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid?
2-amino-3-[2-chloro-6-(methoxymethyl)phenyl]propanoic acid has a molecular weight of 243.69 g/mol, XLogP of 1.44, 5 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-(methoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 117361170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).