2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 117042779

IUPAC2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1CCN(C)C1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-4-5-14(19-3)11(8-10)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyBWVRGQKTEZUMFA-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.95
Rot. Bonds6

About 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid

2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (PubChem CID 117042779) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
PubChem CID117042779
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(C)cc1CCN(C)C1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-10-4-5-14(19-3)11(8-10)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyBWVRGQKTEZUMFA-UHFFFAOYSA-N
XLogP1.95
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-methoxy-3-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042778
3-hydroxy-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylpropanamide
CID 115139401
N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylazetidine-3-carboxamide
CID 115159073
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
4-amino-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylbutanamide
CID 115155476
2-(ethylamino)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-N-methylacetamide
CID 115158094
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
N'-[2-(2-methoxy-5-methylphenyl)ethyl]-N'-methylmethanediamine
CID 115226171
1-[(2-methoxy-5-methylphenyl)methyl]-2-methylpyrrolidine-3-carboxylic acid
CID 79372147
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769
3-[(2-methoxy-5-methylphenyl)methyl-methylsulfamoyl]propanoic acid
CID 43362202
4-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]-3-oxobutanenitrile
CID 117038554

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid (CID 117042779) is 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is COc1ccc(C)cc1CCN(C)C1CC1C(=O)O.
What is the InChIKey of 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
The InChIKey is BWVRGQKTEZUMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-4-5-14(19-3)11(8-10)6-7-16(2)13-9-12(13)15(17)18/h4-5,8,12-13H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid?
2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxy-5-methylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 117042779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).