2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid

C15H19NO5 — CID 61488462

IUPAC2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCC(=O)N(C)C1CC1
InChIInChI=1S/C15H19NO5/c1-3-20-12-6-4-5-11(15(18)19)14(12)21-9-13(17)16(2)10-7-8-10/h4-6,10H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyIZJAJGPSRHNHOV-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.78
Rot. Bonds7

About 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid (PubChem CID 61488462) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
PubChem CID61488462
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
SMILESCCOc1cccc(C(=O)O)c1OCC(=O)N(C)C1CC1
InChIInChI=1S/C15H19NO5/c1-3-20-12-6-4-5-11(15(18)19)14(12)21-9-13(17)16(2)10-7-8-10/h4-6,10H,3,7-9H2,1-2H3,(H,18,19)
InChIKeyIZJAJGPSRHNHOV-UHFFFAOYSA-N
XLogP1.78
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 107077203
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2,3-bis(2-ethoxy-2-oxoethoxy)benzoic acid
CID 18471117
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
3-ethoxy-2-(2-hydroxypropoxy)benzoic acid
CID 60884976
2-(3,3-dimethylbutoxy)-3-ethoxybenzoic acid
CID 61481125
2-(2-carboxy-2-methylpropoxy)-3-ethoxybenzoic acid
CID 79624013
3-ethoxy-2-(2-phenylethoxy)benzoic acid
CID 43366597
3-ethoxy-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoic acid
CID 115942755

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid (CID 61488462) is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid is CCOc1cccc(C(=O)O)c1OCC(=O)N(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid?
The InChIKey is IZJAJGPSRHNHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-3-20-12-6-4-5-11(15(18)19)14(12)21-9-13(17)16(2)10-7-8-10/h4-6,10H,3,7-9H2,1-2H3,(H,18,19).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid?
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid is sourced from PubChem (CID 61488462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).