3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid

C14H19NO6 — CID 61379229

IUPAC3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCOCC(C)NC(=O)COc1c(OC)cccc1C(=O)O
InChIInChI=1S/C14H19NO6/c1-9(7-19-2)15-12(16)8-21-13-10(14(17)18)5-4-6-11(13)20-3/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyTVQAKEBQBSXCOD-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.92
Rot. Bonds8

About 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid

3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid (PubChem CID 61379229) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
PubChem CID61379229
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid
SMILESCOCC(C)NC(=O)COc1c(OC)cccc1C(=O)O
InChIInChI=1S/C14H19NO6/c1-9(7-19-2)15-12(16)8-21-13-10(14(17)18)5-4-6-11(13)20-3/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyTVQAKEBQBSXCOD-UHFFFAOYSA-N
XLogP0.92
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyanomethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471761
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CID 100529408
2-[2-(cyclopropylmethylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43471767
3-methoxy-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 42904343
2-methoxy-N-[4-[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethoxy]phenyl]benzamide
CID 9114687
N-(1-methoxypropan-2-yl)-2-(2-phenylphenoxy)acetamide
CID 18166557
3-methoxy-2-(2-methylprop-2-enoxy)benzoic acid
CID 61379741
2-(3-methoxyphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 78760764
3-methoxy-N,N-dimethyl-2-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]benzamide
CID 60522484
3-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 61483895
2-(2-formylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 47095848
N-[(2R)-1-hydroxypropan-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 39086763

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid (CID 61379229) is 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid is COCC(C)NC(=O)COc1c(OC)cccc1C(=O)O.
What is the InChIKey of 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is TVQAKEBQBSXCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-9(7-19-2)15-12(16)8-21-13-10(14(17)18)5-4-6-11(13)20-3/h4-6,9H,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid?
3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 297.31 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 61379229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).