2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

C14H19NO4 — CID 116953791

IUPAC2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1cc(OC)ccc1OC)C1CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-15-13(9-7-10(9)14(16)17)11-6-8(18-2)4-5-12(11)19-3/h4-6,9-10,13,15H,7H2,1-3H3,(H,16,17)
InChIKeyQUTOKUDHMMQXJQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.68
Rot. Bonds6

About 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116953791) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116953791
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1cc(OC)ccc1OC)C1CC1C(=O)O
InChIInChI=1S/C14H19NO4/c1-15-13(9-7-10(9)14(16)17)11-6-8(18-2)4-5-12(11)19-3/h4-6,9-10,13,15H,7H2,1-3H3,(H,16,17)
InChIKeyQUTOKUDHMMQXJQ-UHFFFAOYSA-N
XLogP1.68
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953828
2-(2,5-dimethoxyphenyl)-2-(methylamino)acetamide
CID 60795865
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93320591
2-[(5-bromo-2-methylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953849
ethyl 2-(2,5-dimethoxyphenyl)-2-(methylamino)acetate
CID 60786403
1-(2,5-dimethoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954299
2-(2,5-dimethoxybenzoyl)cyclopropane-1-carboxylic acid
CID 116918493
methyl 2-(cyclopropylamino)-2-(2,5-dimethoxyphenyl)acetate
CID 54918830
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
(1S)-1-(2,5-dimethoxyphenyl)-N-methylethanamine
CID 40516621
4-(2,5-dimethoxyphenyl)-4-hydroxy-3-(methylamino)butanoic acid
CID 82348737
[(2,5-dimethoxyphenyl)-(3-methylcyclopentyl)methyl]hydrazine
CID 105233270

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (CID 116953791) is 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is CNC(c1cc(OC)ccc1OC)C1CC1C(=O)O.
What is the InChIKey of 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QUTOKUDHMMQXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-15-13(9-7-10(9)14(16)17)11-6-8(18-2)4-5-12(11)19-3/h4-6,9-10,13,15H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116953791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).