2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid

C11H13NO5 — CID 110465928

IUPAC2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(C(=O)N(C)CC(=O)O)ccc1O
InChIInChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)7-3-4-8(13)9(5-7)17-2/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyXDOHSHVDGJJDFP-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.56
Rot. Bonds4

About 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid

2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid (PubChem CID 110465928) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
PubChem CID110465928
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid
SMILESCOc1cc(C(=O)N(C)CC(=O)O)ccc1O
InChIInChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)7-3-4-8(13)9(5-7)17-2/h3-5,13H,6H2,1-2H3,(H,14,15)
InChIKeyXDOHSHVDGJJDFP-UHFFFAOYSA-N
XLogP0.56
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetate
CID 110465943
2-[(4-fluoro-3-methoxybenzoyl)-methylamino]acetic acid
CID 81283075
2-[[3-(difluoromethoxy)-4-methoxybenzoyl]-methylamino]acetic acid
CID 119171808
2-[(3-methoxy-4-nitrobenzoyl)-methylamino]acetic acid
CID 115729869
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
2-[(3-hydroxy-4-methylbenzoyl)-methylamino]acetic acid
CID 16772669
N-(2-amino-2-oxoethyl)-3,4-dimethoxy-N-methylbenzamide
CID 47210225
4-hydroxy-N-(4-hydroxyphenyl)-3-methoxy-N-methylbenzamide
CID 176768162
4-hydroxy-3-methoxybenzoic acid;hydrate
CID 118665847
2-(4-hydroxy-3-methoxybenzoyl)oxyacetic acid
CID 134285063
acetic acid;1-(4-hydroxy-3-methoxyphenyl)ethanone
CID 66599170
1,3-bis(4-hydroxy-3-methoxyphenyl)propane-1,3-dione
CID 143339753

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid (CID 110465928) is 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid is COc1cc(C(=O)N(C)CC(=O)O)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid?
The InChIKey is XDOHSHVDGJJDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12(6-10(14)15)11(16)7-3-4-8(13)9(5-7)17-2/h3-5,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid?
2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxybenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 110465928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).