2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

C15H21NO3 — CID 116953828

IUPAC2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1ccc(OC)c(C)c1C)C1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-8-9(2)13(19-4)6-5-10(8)14(16-3)11-7-12(11)15(17)18/h5-6,11-12,14,16H,7H2,1-4H3,(H,17,18)
InChIKeyVMBONCXRHZJZOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.29
Rot. Bonds5

About 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid

2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116953828) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116953828
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCNC(c1ccc(OC)c(C)c1C)C1CC1C(=O)O
InChIInChI=1S/C15H21NO3/c1-8-9(2)13(19-4)6-5-10(8)14(16-3)11-7-12(11)15(17)18/h5-6,11-12,14,16H,7H2,1-4H3,(H,17,18)
InChIKeyVMBONCXRHZJZOT-UHFFFAOYSA-N
XLogP2.29
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,5-dimethoxyphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953791
2-[(5-bromo-2-methylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953849
3-cyclopropyl-3-(4-methoxy-2,3-dimethylphenyl)propanoic acid
CID 82296370
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
[1-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropyl]methanol
CID 116958294
2-[(5-bromothiophen-2-yl)-(methylamino)methyl]cyclopropane-1-carboxylic acid
CID 116953803
2-[1-(3-chloro-4-methoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928582
2-(dimethylamino)-2-(4-methoxy-2,3-dimethylphenyl)acetic acid
CID 82476697
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
2-amino-3-(2,4-dimethoxy-3-methylphenyl)-3-(methylamino)propanoic acid
CID 116957379
2-[(5-bromo-2-methoxyphenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116908372
N-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-3-(methylamino)propanamide
CID 112514935

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid (CID 116953828) is 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is CNC(c1ccc(OC)c(C)c1C)C1CC1C(=O)O.
What is the InChIKey of 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is VMBONCXRHZJZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-8-9(2)13(19-4)6-5-10(8)14(16-3)11-7-12(11)15(17)18/h5-6,11-12,14,16H,7H2,1-4H3,(H,17,18).
What are the key properties of 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid?
2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-2,3-dimethylphenyl)-(methylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116953828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).