5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid

C12H15NO5 — CID 43267774

IUPAC5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)C(C)Oc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-7(11(14)13-2)18-10-5-4-8(17-3)6-9(10)12(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyKUAPCKWHSJADCW-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.91
Rot. Bonds5

About 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid

5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid (PubChem CID 43267774) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid
PubChem CID43267774
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid
SMILESCNC(=O)C(C)Oc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C12H15NO5/c1-7(11(14)13-2)18-10-5-4-8(17-3)6-9(10)12(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16)
InChIKeyKUAPCKWHSJADCW-UHFFFAOYSA-N
XLogP0.91
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-2-[[1-(methylamino)-1-oxopropan-2-yl]carbamoylamino]benzoic acid
CID 115412185
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2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
N-ethyl-2-[4-methoxy-2-(methylaminomethyl)phenoxy]propanamide
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CID 43085549
2-(5-formyl-2-methoxyphenoxy)-N-methylpropanamide
CID 43085566
2-[2-[(1R)-1-hydroxyethyl]-5-methoxyphenoxy]-N-(methylcarbamoyl)propanamide
CID 82003429
2-(2-bromo-4-methoxyphenoxy)-N-(2-methoxyethyl)propanamide
CID 104707490
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
N-methyl-2-phenoxypropanamide
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5-methyl-2-[1-(2-methylpropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 45301849

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The IUPAC name of 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid (CID 43267774) is 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid.
What is the SMILES notation for 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The canonical SMILES for 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid is CNC(=O)C(C)Oc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid?
The InChIKey is KUAPCKWHSJADCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(11(14)13-2)18-10-5-4-8(17-3)6-9(10)12(15)16/h4-7H,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid?
5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[1-(methylamino)-1-oxopropan-2-yl]oxybenzoic acid is sourced from PubChem (CID 43267774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).