cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

C13H15NO5 — CID 93320591

IUPACcis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-18-7-3-4-11(19-2)10(5-7)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1
InChIKeyJDYQCTKQVHTLEV-BDAKNGLRSA-N
MW265.26 g/mol
LogP1.36
Rot. Bonds5

About cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 93320591) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID93320591
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Namecis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1
InChIInChI=1S/C13H15NO5/c1-18-7-3-4-11(19-2)10(5-7)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1
InChIKeyJDYQCTKQVHTLEV-BDAKNGLRSA-N
XLogP1.36
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-(2,5-dimethoxyphenyl)-1-N-propan-2-ylcyclopropane-1,2-dicarboxamide
CID 109130753
cis-(1S,2R)-2-[(2-chloro-5-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 114092154
2-amino-N-(2,5-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 114997065
1-N-(2,5-dimethoxyphenyl)-2-N-(3-methoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143373
2-N-cycloheptyl-1-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109139753
1-N-(5-chloro-2-methylphenyl)-2-N-(2,5-dimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143056
2-[(2-ethoxy-5-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975949
trans-(1R,2R)-2-[(2-methoxy-5-sulfamoylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129365678
2-[(4-methoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270389
2-[[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 119182807
6-[(2,4-dimethoxyphenyl)carbamoyl]-3,4-dimethylcyclohex-3-ene-1-carboxylic acid
CID 17379150
2-[(3,4-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 60792514

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 93320591) is cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is COc1ccc(OC)c(NC(=O)[C@@H]2C[C@@H]2C(=O)O)c1.
What is the InChIKey of cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is JDYQCTKQVHTLEV-BDAKNGLRSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-7-3-4-11(19-2)10(5-7)14-12(15)8-6-9(8)13(16)17/h3-5,8-9H,6H2,1-2H3,(H,14,15)(H,16,17)/t8-,9+/m1/s1.
What are the key properties of cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-[(2,5-dimethoxyphenyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93320591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).