2-[(2,4-dimethoxyphenyl)methylamino]acetic acid

C11H15NO4 — CID 11042399

IUPAC2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
SMILESCOc1ccc(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyAJVOIZUSHCYQHZ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.88
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid (PubChem CID 11042399) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
PubChem CID11042399
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-[(2,4-dimethoxyphenyl)methylamino]acetic acid
SMILESCOc1ccc(CNCC(=O)O)c(OC)c1
InChIInChI=1S/C11H15NO4/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14)
InChIKeyAJVOIZUSHCYQHZ-UHFFFAOYSA-N
XLogP0.88
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,4-dimethoxyphenyl)methylamino]acetic acid;ethane;methanol
CID 170597186
2-[(2,5-dimethoxyphenyl)methylamino]acetic acid
CID 43135095
2-[(2,4-dimethoxyphenyl)methylamino]-N,N-dimethylacetamide
CID 43214431
N-carbamoyl-2-[(2,4-dimethoxyphenyl)methylamino]acetamide
CID 60977202
2-[(2,4-dimethoxyphenyl)methylamino]ethylcarbamic acid
CID 155211996
methyl 3-[(2,4-dimethoxyphenyl)methylamino]propanoate
CID 11844508
5-[(2,4-dimethoxyphenyl)methylamino]-5-oxopentanoic acid
CID 63363165
2-[(2,4-dimethoxyphenyl)methylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 60957321
4-[(2,4-dimethoxyphenyl)methylcarbamoylamino]butanoic acid
CID 63362848
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190
2-[(2,4-dimethoxyphenyl)methylamino]-1-morpholin-4-ylethanone
CID 60976756
(2,4-dimethoxyphenyl)methylurea
CID 53362457

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid (CID 11042399) is 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid is COc1ccc(CNCC(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid?
The InChIKey is AJVOIZUSHCYQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-15-9-4-3-8(10(5-9)16-2)6-12-7-11(13)14/h3-5,12H,6-7H2,1-2H3,(H,13,14).
What are the key properties of 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid?
2-[(2,4-dimethoxyphenyl)methylamino]acetic acid has a molecular weight of 225.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 11042399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).