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

C10H11NO5 — CID 3083688

IUPAC2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)O)ccc1O
InChIInChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyLOODYTDRRBLQNH-UHFFFAOYSA-N
MW225.20 g/mol
LogP0.22
Rot. Bonds4

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

2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid (PubChem CID 3083688) has the molecular formula C10H11NO5 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid
PubChem CID3083688
Molecular FormulaC10H11NO5
Molecular Weight225.20 g/mol
Exact Mass225.06
IUPAC Name2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)NCC(=O)O)ccc1O
InChIInChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14)
InChIKeyLOODYTDRRBLQNH-UHFFFAOYSA-N
XLogP0.22
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid (CID 3083688) is 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid is COc1cc(C(=O)NCC(=O)O)ccc1O.
What is the InChIKey of 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid?
The InChIKey is LOODYTDRRBLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5/c1-16-8-4-6(2-3-7(8)12)10(15)11-5-9(13)14/h2-4,12H,5H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid?
2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid has a molecular weight of 225.20 g/mol, XLogP of 0.22, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hydroxy-3-methoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 3083688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).