2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

C12H16N2O5 — CID 113458477

IUPAC2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H16N2O5/c1-14(6-7-19-2)12(18)13-9-5-3-4-8(10(9)15)11(16)17/h3-5,15H,6-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyNHOXAXNKVQVHMY-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.20
Rot. Bonds5

About 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid

2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (PubChem CID 113458477) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
PubChem CID113458477
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Name2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
SMILESCOCCN(C)C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H16N2O5/c1-14(6-7-19-2)12(18)13-9-5-3-4-8(10(9)15)11(16)17/h3-5,15H,6-7H2,1-2H3,(H,13,18)(H,16,17)
InChIKeyNHOXAXNKVQVHMY-UHFFFAOYSA-N
XLogP1.20
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-3-[[2-hydroxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 113458475
3-[[2-cyanoethyl(methyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 113458467
2-chloro-6-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid
CID 63723134
2-methyl-3-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]benzoic acid
CID 81036622
3-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-2-methylbenzoic acid
CID 82938747
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-hydroxy-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]benzoic acid
CID 104833746
4-fluoro-2-[[3-methoxypropyl(methyl)carbamoyl]amino]benzoic acid
CID 62994916
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
3-[[ethyl(2-methylbutyl)carbamoyl]amino]-2-hydroxybenzoic acid
CID 104833778
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964
methyl 2-[[methyl(2-phenylethyl)carbamoyl]amino]benzoate
CID 23734523

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid (CID 113458477) is 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is COCCN(C)C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
The InChIKey is NHOXAXNKVQVHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-14(6-7-19-2)12(18)13-9-5-3-4-8(10(9)15)11(16)17/h3-5,15H,6-7H2,1-2H3,(H,13,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid?
2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid has a molecular weight of 268.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[2-methoxyethyl(methyl)carbamoyl]amino]benzoic acid is sourced from PubChem (CID 113458477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).