2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid

C13H17NO5 — CID 43471727

IUPAC2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H17NO5/c1-8(12(15)14(2)3)19-11-9(13(16)17)6-5-7-10(11)18-4/h5-8H,1-4H3,(H,16,17)
InChIKeyZQURUJSNJWLTGJ-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.25
Rot. Bonds5

About 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid

2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid (PubChem CID 43471727) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid.

Molecular Properties

Compound Name2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
PubChem CID43471727
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid
SMILESCOc1cccc(C(=O)O)c1OC(C)C(=O)N(C)C
InChIInChI=1S/C13H17NO5/c1-8(12(15)14(2)3)19-11-9(13(16)17)6-5-7-10(11)18-4/h5-8H,1-4H3,(H,16,17)
InChIKeyZQURUJSNJWLTGJ-UHFFFAOYSA-N
XLogP1.25
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methoxy-6-[(propan-2-ylamino)methyl]phenoxy]-N,N-dimethylpropanamide
CID 43472036
2,3-dimethoxybenzoic acid;platinum;hydrate
CID 174478854
2-(2-hydroxypropanoyloxy)-3-methoxybenzoic acid
CID 117054066
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
2-(3-hydroxy-2-methylphenoxy)-N,N-dimethylpropanamide
CID 43143214
4-chloro-2-[1-(dimethylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 61379027
2-[2-[(Z)-but-2-en-2-yl]phenoxy]-N,N-dimethylpropanamide
CID 173339898
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-5-iodobenzoic acid
CID 82995938
2-[1-(diethylamino)-1-oxopropan-2-yl]oxy-3-fluorobenzoic acid
CID 115956001
calcium bis(2-carboxy-6-methoxyphenolate)
CID 158722601
2-(1-carboxyethyl)-3-methoxybenzoic acid
CID 12962431
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402

Frequently Asked Questions

What is the IUPAC name of 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid?
The IUPAC name of 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid (CID 43471727) is 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid.
What is the SMILES notation for 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid?
The canonical SMILES for 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid is COc1cccc(C(=O)O)c1OC(C)C(=O)N(C)C.
What is the InChIKey of 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid?
The InChIKey is ZQURUJSNJWLTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8(12(15)14(2)3)19-11-9(13(16)17)6-5-7-10(11)18-4/h5-8H,1-4H3,(H,16,17).
What are the key properties of 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid?
2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid has a molecular weight of 267.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(dimethylamino)-1-oxopropan-2-yl]oxy-3-methoxybenzoic acid is sourced from PubChem (CID 43471727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).