2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid

C11H15NO4 — CID 117323071

IUPAC2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(OC)cc(C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-6-7-3-8(10(12)11(13)14)5-9(4-7)16-2/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyPCLPXHHEJFCBQM-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.93
Rot. Bonds5

About 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid

2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid (PubChem CID 117323071) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
PubChem CID117323071
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid
SMILESCOCc1cc(OC)cc(C(N)C(=O)O)c1
InChIInChI=1S/C11H15NO4/c1-15-6-7-3-8(10(12)11(13)14)5-9(4-7)16-2/h3-5,10H,6,12H2,1-2H3,(H,13,14)
InChIKeyPCLPXHHEJFCBQM-UHFFFAOYSA-N
XLogP0.93
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117301771
1-[3-methoxy-5-(methoxymethyl)phenyl]propan-2-one
CID 117297433
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
3-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 155888018
(2S)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869077
(2R)-2-amino-3-(3-hydroxy-5-methoxyphenyl)propanoic acid
CID 39869075
(2S)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 66513064
2-amino-2-(3,4,5-trimethoxyphenyl)acetic acid
CID 5100265
(2R)-2-amino-2-(4-hydroxy-3,5-dimethoxyphenyl)acetic acid
CID 124634776
2-amino-2-[4-(2-methoxyethoxy)phenyl]acetic acid
CID 77128718
2-amino-2-[3-bromo-2-fluoro-5-(methoxymethyl)phenyl]acetic acid
CID 117471361
1-(3,5-dimethoxyphenyl)-2-methylprop-2-en-1-amine
CID 105005540

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid (CID 117323071) is 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid is COCc1cc(OC)cc(C(N)C(=O)O)c1.
What is the InChIKey of 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid?
The InChIKey is PCLPXHHEJFCBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-6-7-3-8(10(12)11(13)14)5-9(4-7)16-2/h3-5,10H,6,12H2,1-2H3,(H,13,14).
What are the key properties of 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid?
2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[3-methoxy-5-(methoxymethyl)phenyl]acetic acid is sourced from PubChem (CID 117323071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).