3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

C15H19NO4 — CID 64835053

IUPAC3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H19NO4/c1-15(2)11(12(15)14(18)19)13(17)16(3)9-7-5-6-8-10(9)20-4/h5-8,11-12H,1-4H3,(H,18,19)
InChIKeyZFEBZFYFTIOYPH-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.01
Rot. Bonds4

About 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid

3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (PubChem CID 64835053) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
PubChem CID64835053
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
SMILESCOc1ccccc1N(C)C(=O)C1C(C(=O)O)C1(C)C
InChIInChI=1S/C15H19NO4/c1-15(2)11(12(15)14(18)19)13(17)16(3)9-7-5-6-8-10(9)20-4/h5-8,11-12H,1-4H3,(H,18,19)
InChIKeyZFEBZFYFTIOYPH-UHFFFAOYSA-N
XLogP2.01
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-methoxyphenyl)-methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782486
(1S,6R)-6-[(2-methoxyphenyl)-methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104962350
trans-(1S,3S)-3-(2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 94768049
3-amino-N-(2-methoxyphenyl)-N-methylpropanamide
CID 28795107
(2S)-2-amino-N-(2-methoxyphenyl)-N-methyl-2-phenylacetamide
CID 104897769
1-[(2-methoxyphenyl)-methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097334
N-(2-methoxyphenyl)-N-methyl-3-phenyl-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 51121534
N-(2-methoxyphenyl)-N-methylpiperazine-2-carboxamide
CID 63104359
N-(2-methoxyphenyl)-N-methyl-6-methylidene-2-oxopiperidine-3-carboxamide
CID 159850642
2,2-dimethyl-3-[methyl(pyridin-4-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106934639
2-[1-(2-methoxy-N-methylanilino)-1-oxopropan-2-yl]oxypropanoic acid
CID 154843476
3-amino-N-(2-methoxyphenyl)-N,3-dimethylbutanamide
CID 64678245

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid (CID 64835053) is 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is COc1ccccc1N(C)C(=O)C1C(C(=O)O)C1(C)C.
What is the InChIKey of 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is ZFEBZFYFTIOYPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2)11(12(15)14(18)19)13(17)16(3)9-7-5-6-8-10(9)20-4/h5-8,11-12H,1-4H3,(H,18,19).
What are the key properties of 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid?
3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).