2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid

C14H17NO4 — CID 61488849

IUPAC2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
SMILESCc1ccc(OCC(=O)N(C)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-9-3-6-12(11(7-9)14(17)18)19-8-13(16)15(2)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyULTDWMBEMCBXLU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.69
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid (PubChem CID 61488849) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
PubChem CID61488849
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid
SMILESCc1ccc(OCC(=O)N(C)C2CC2)c(C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-9-3-6-12(11(7-9)14(17)18)19-8-13(16)15(2)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,18)
InChIKeyULTDWMBEMCBXLU-UHFFFAOYSA-N
XLogP1.69
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-fluorobenzoic acid
CID 113281438
N-cyclopropyl-2-(2,5-dimethylphenoxy)-N-methylacetamide
CID 113222109
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-4-methoxybenzoic acid
CID 61488783
2-[2-[cyclohexyl(methyl)amino]-2-oxoethoxy]benzoic acid
CID 43214278
N-cyclopropyl-N-methyl-2-[4-methyl-2-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 63323656
2-[2-(dipropylamino)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379859
2-[2-(azetidin-1-yl)-2-oxoethoxy]-5-methylbenzoic acid
CID 61379862
2-[2-(dimethylamino)-2-methylpropoxy]-5-methylbenzoic acid
CID 79680211
N-cyclopropyl-2-(3,5-dimethylphenoxy)-N-methylacetamide
CID 60749452
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-3-ethoxybenzoic acid
CID 61488462
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 55372467
2-(2-acetyl-4-nitrophenoxy)-N-cyclopropyl-N-methylacetamide
CID 115774350

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid (CID 61488849) is 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid is Cc1ccc(OCC(=O)N(C)C2CC2)c(C(=O)O)c1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid?
The InChIKey is ULTDWMBEMCBXLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-9-3-6-12(11(7-9)14(17)18)19-8-13(16)15(2)10-4-5-10/h3,6-7,10H,4-5,8H2,1-2H3,(H,17,18).
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid?
2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid has a molecular weight of 263.29 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]-2-oxoethoxy]-5-methylbenzoic acid is sourced from PubChem (CID 61488849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).