2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid

C12H15NO5 — CID 114018262

IUPAC2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
SMILESCCCOCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H15NO5/c1-2-6-18-7-10(14)13-9-5-3-4-8(11(9)15)12(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyMGFWJSOEFLWNGK-UHFFFAOYSA-N
MW253.25 g/mol
LogP1.46
Rot. Bonds6

About 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid

2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid (PubChem CID 114018262) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
PubChem CID114018262
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
SMILESCCCOCC(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C12H15NO5/c1-2-6-18-7-10(14)13-9-5-3-4-8(11(9)15)12(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,14)(H,16,17)
InChIKeyMGFWJSOEFLWNGK-UHFFFAOYSA-N
XLogP1.46
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 108745791
N-(5-hydroxynaphthalen-1-yl)-2-propoxyacetamide
CID 107941689
3-fluoro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 114018238
2-hydroxy-3-(nonanoylamino)benzoic acid
CID 104832987
3-[(2-propoxyacetyl)amino]pyridine-4-carboxylic acid
CID 107938048
3-(decoxycarbonylamino)-2-hydroxybenzoic acid
CID 19000845
N-(2-carbamothioylphenyl)-2-(2-propoxyethoxy)acetamide
CID 63685097
N-(2-aminophenyl)-2-propoxyacetamide;hydrochloride
CID 119422200
4,5-dimethoxy-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937657
3-(3-ethylsulfanylpropanoylamino)-2-hydroxybenzoic acid
CID 151909186
3-[[2-(carboxymethoxy)acetyl]amino]-2-methylbenzoic acid
CID 61327665
5-nitro-2-[(2-propoxyacetyl)amino]benzoic acid
CID 107937682

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid (CID 114018262) is 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid is CCCOCC(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid?
The InChIKey is MGFWJSOEFLWNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-2-6-18-7-10(14)13-9-5-3-4-8(11(9)15)12(16)17/h3-5,15H,2,6-7H2,1H3,(H,13,14)(H,16,17).
What are the key properties of 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid?
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid has a molecular weight of 253.25 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid is sourced from PubChem (CID 114018262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).