cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid

C14H17NO4 — CID 93376998

IUPACcis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-15(13(16)11-7-12(11)14(17)18)8-9-4-3-5-10(6-9)19-2/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyBKEACBWZWLEURE-NEPJUHHUSA-N
MW263.29 g/mol
LogP1.37
Rot. Bonds5

About cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93376998) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93376998
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Namecis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C14H17NO4/c1-15(13(16)11-7-12(11)14(17)18)8-9-4-3-5-10(6-9)19-2/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)/t11-,12+/m1/s1
InChIKeyBKEACBWZWLEURE-NEPJUHHUSA-N
XLogP1.37
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methoxyphenyl)methyl]-N-methylcyclopropanecarboxamide
CID 60630648
N-[(3-methoxyphenyl)methyl]-N-methyl-4-(methylamino)oxolane-3-carboxamide
CID 66265607
N-[(3-methoxyphenyl)methyl]-N,3-dimethylpiperidine-2-carboxamide
CID 62339975
trans-(1R,2R)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910906
cis-(1R,2S)-N-[3-[(3-methoxyphenyl)methyl-methylamino]-3-oxopropyl]-2-methylcyclopropane-1-carboxamide
CID 39910904
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methylbenzamide
CID 22070414
(3R)-N-[(3-methoxyphenyl)methyl]-N-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 8960536
cis-(1S,2R)-2-[ethyl-[(1R)-1-(3-methoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125131878
ethyl N-[(3-methoxyphenyl)methyl]-N-methylcarbamate
CID 60636271
dimethylamino-[(3-methoxyphenyl)methyl]carbamic acid
CID 90758333
1-[2-[(3-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904141
3-[ethyl-[(3-methoxyphenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 61417820

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 93376998) is cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is COc1cccc(CN(C)C(=O)[C@@H]2C[C@@H]2C(=O)O)c1.
What is the InChIKey of cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is BKEACBWZWLEURE-NEPJUHHUSA-N. The full InChI is InChI=1S/C14H17NO4/c1-15(13(16)11-7-12(11)14(17)18)8-9-4-3-5-10(6-9)19-2/h3-6,11-12H,7-8H2,1-2H3,(H,17,18)/t11-,12+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(3-methoxyphenyl)methyl-methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93376998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).