2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid

C14H17NO5 — CID 61488783

IUPAC2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-15(9-3-4-9)13(16)8-20-12-7-10(19-2)5-6-11(12)14(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyKLXUCZZKPIPYDN-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid (PubChem CID 61488783) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
PubChem CID61488783
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(OCC(=O)N(C)C2CC2)c1
InChIInChI=1S/C14H17NO5/c1-15(9-3-4-9)13(16)8-20-12-7-10(19-2)5-6-11(12)14(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)
InChIKeyKLXUCZZKPIPYDN-UHFFFAOYSA-N
XLogP1.39
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
CID 61488849
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-(2-bromoprop-2-enoxy)-4-methoxybenzoic acid
CID 61379603
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoic acid
CID 7052
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462
2-(4-chlorophenoxy)-N-cyclopropyl-N-methylacetamide
CID 60747870
3-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]pyridine-2-carboxylic acid
CID 54957131
2-(3-methoxyphenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441734

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid (CID 61488783) is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid is COc1ccc(C(=O)O)c(OCC(=O)N(C)C2CC2)c1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid?
The InChIKey is KLXUCZZKPIPYDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-15(9-3-4-9)13(16)8-20-12-7-10(19-2)5-6-11(12)14(17)18/h5-7,9H,3-4,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid?
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid has a molecular weight of 279.29 g/mol, XLogP of 1.39, 6 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]-4-methoxybenzoic acid is sourced from PubChem (CID 61488783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).