4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid

C16H19NO4 — CID 107671136

IUPAC4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid
SMILESCc1cc(OCC(=O)N(C)C2=CCCC2)ccc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-11-9-13(7-8-14(11)16(19)20)21-10-15(18)17(2)12-5-3-4-6-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,19,20)
InChIKeyQWMCVOPHWPGPIC-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.60
Rot. Bonds5

About 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid

4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid (PubChem CID 107671136) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid.

Molecular Properties

Compound Name4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid
PubChem CID107671136
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid
SMILESCc1cc(OCC(=O)N(C)C2=CCCC2)ccc1C(=O)O
InChIInChI=1S/C16H19NO4/c1-11-9-13(7-8-14(11)16(19)20)21-10-15(18)17(2)12-5-3-4-6-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,19,20)
InChIKeyQWMCVOPHWPGPIC-UHFFFAOYSA-N
XLogP2.60
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(2-Oxopyrrolidin-1-yl)ethoxy]benzoic acid
CID 6497235
[2-(Cyclopentylamino)-2-oxoethyl] 4-butoxybenzoate
CID 2434464
(2-Oxo-2-pyrrolidin-1-ylethyl) 3,4-diethoxybenzoate
CID 4033365
2-[2-[Methyl(2-phenylethyl)amino]-2-oxoethyl]-4-phenylmethoxybenzoic acid
CID 10525218
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 4-hydroxybenzoate
CID 5015747
(2-Morpholin-4-yl-2-oxoethyl) 4-butoxybenzoate
CID 2116234
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-ethoxybenzoate
CID 2356240
Methyl 4-[2-(cyclooctylamino)-2-oxoethoxy]benzoate
CID 2380913
[2-(Azepan-1-yl)-2-oxoethyl] 4-butoxybenzoate
CID 2434962
4''-[(Diisopropylcarbamoyl)-methoxy]-2''-ethyl-biphenyl-4-carboxylic acid
CID 44292736
4-[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethoxy]benzoic acid
CID 3671480
[2-(Cyclooctylamino)-2-oxoethyl] 4-ethoxybenzoate
CID 4802353

Frequently Asked Questions

What is the IUPAC name of 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid?
The IUPAC name of 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid (CID 107671136) is 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid.
What is the SMILES notation for 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid?
The canonical SMILES for 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid is Cc1cc(OCC(=O)N(C)C2=CCCC2)ccc1C(=O)O.
What is the InChIKey of 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid?
The InChIKey is QWMCVOPHWPGPIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-11-9-13(7-8-14(11)16(19)20)21-10-15(18)17(2)12-5-3-4-6-12/h5,7-9H,3-4,6,10H2,1-2H3,(H,19,20).
What are the key properties of 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid?
4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethoxy]-2-methylbenzoic acid is sourced from PubChem (CID 107671136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).