cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

C12H15NO4 — CID 95002452

IUPACcis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc([C@H]2C[C@]2(N)C(=O)O)cc1OC
InChIInChI=1S/C12H15NO4/c1-16-9-4-3-7(5-10(9)17-2)8-6-12(8,13)11(14)15/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-,12-/m1/s1
InChIKeyOLBWIVNAPIEFGJ-PRHODGIISA-N
MW237.25 g/mol
LogP0.97
Rot. Bonds4

About cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid

cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (PubChem CID 95002452) has the molecular formula C12H15NO4 and a molecular weight of 237.25 g/mol. Its IUPAC name is cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
PubChem CID95002452
Molecular FormulaC12H15NO4
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Namecis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid
SMILESCOc1ccc([C@H]2C[C@]2(N)C(=O)O)cc1OC
InChIInChI=1S/C12H15NO4/c1-16-9-4-3-7(5-10(9)17-2)8-6-12(8,13)11(14)15/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-,12-/m1/s1
InChIKeyOLBWIVNAPIEFGJ-PRHODGIISA-N
XLogP0.97
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-2-(3,4-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 53276282
trans-(1R,2S)-1-amino-2-(4-fluorophenyl)cyclopropane-1-carboxylic acid
CID 13416169
trans-diethyl (2R,4S)-4-(3,4-dimethoxyphenyl)-2-hydroxy-3,3-diphenylcyclopentane-1,1-dicarboxylate
CID 132571858
(3R,4S)-4-(3,4-dimethoxyphenyl)-2-oxooxolane-3-carboxylic acid
CID 124747006
4-[(1R,2R)-2-(3,4-dimethoxyphenyl)cyclopropyl]-1,2-dimethoxybenzene
CID 71406141
2-(3,4-dimethoxyphenyl)-4,6-dioxocyclohexane-1-carboxylic acid
CID 150863388
dimethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate;hydrate
CID 51056928
cis-methyl (1S,2R)-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylate
CID 125470953
(4R)-4-(3,4-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 777354
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
(3S,4R)-4-(3,4-dimethoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 124858013
(2S,3S)-2-(3,4-dimethoxyphenyl)-5-phenyl-6-oxa-4-azaspiro[2.4]hept-4-en-7-one
CID 832367

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid (CID 95002452) is cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is COc1ccc([C@H]2C[C@]2(N)C(=O)O)cc1OC.
What is the InChIKey of cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
The InChIKey is OLBWIVNAPIEFGJ-PRHODGIISA-N. The full InChI is InChI=1S/C12H15NO4/c1-16-9-4-3-7(5-10(9)17-2)8-6-12(8,13)11(14)15/h3-5,8H,6,13H2,1-2H3,(H,14,15)/t8-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid?
cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid has a molecular weight of 237.25 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-1-amino-2-(3,4-dimethoxyphenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 95002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).