1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

C12H15NO2 — CID 53276282

IUPAC1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2CC2(N)C(=O)O)cc1C
InChIInChI=1S/C12H15NO2/c1-7-3-4-9(5-8(7)2)10-6-12(10,13)11(14)15/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyFWNMNSGLTGJTAR-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.57
Rot. Bonds2

About 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid

1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (PubChem CID 53276282) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
PubChem CID53276282
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
SMILESCc1ccc(C2CC2(N)C(=O)O)cc1C
InChIInChI=1S/C12H15NO2/c1-7-3-4-9(5-8(7)2)10-6-12(10,13)11(14)15/h3-5,10H,6,13H2,1-2H3,(H,14,15)
InChIKeyFWNMNSGLTGJTAR-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 95002452
trans-(1R,2S)-1-amino-2-(3-methylphenyl)cyclopropane-1-carboxylic acid
CID 95002552
cis-(1R,2R)-1-amino-2-(3,4-dichlorophenyl)cyclopropane-1-carboxylic acid
CID 95002466
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
1-amino-2-(3,5-dimethoxyphenyl)cyclopropane-1-carboxylic acid
CID 102534399
cis-(1R,2S)-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 51888152
1-amino-2-phenylcyclopropane-1-carboxylic acid;methyl 1-acetamido-2-phenylcyclopropane-1-carboxylate
CID 167649996
1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 53276275
cis-(1S,2S)-1-amino-2-(2-fluorophenyl)cyclopropane-1-carboxylic acid
CID 95002519
1-amino-2-(furan-2-yl)cyclopropane-1-carboxylic acid
CID 55297115
2-(3,4-dimethylphenyl)-N-methylsulfonylcyclopropane-1-carboxamide
CID 146154687
1-(1-aminocyclopropyl)-2-(3,4-dimethylphenyl)ethanone
CID 116576667

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid (CID 53276282) is 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is Cc1ccc(C2CC2(N)C(=O)O)cc1C.
What is the InChIKey of 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is FWNMNSGLTGJTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-7-3-4-9(5-8(7)2)10-6-12(10,13)11(14)15/h3-5,10H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid?
1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 53276282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).