1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

C13H14ClNO4 — CID 103293265

IUPAC1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(Cl)c1CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-4-2-3-9(14)8(10)7-15-11(16)13(5-6-13)12(17)18/h2-4H,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDBDBKKWXXLEOKE-UHFFFAOYSA-N
MW283.71 g/mol
LogP1.83
Rot. Bonds5

About 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid

1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 103293265) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
PubChem CID103293265
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
SMILESCOc1cccc(Cl)c1CNC(=O)C1(C(=O)O)CC1
InChIInChI=1S/C13H14ClNO4/c1-19-10-4-2-3-9(14)8(10)7-15-11(16)13(5-6-13)12(17)18/h2-4H,5-7H2,1H3,(H,15,16)(H,17,18)
InChIKeyDBDBKKWXXLEOKE-UHFFFAOYSA-N
XLogP1.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 103291819
1-[(3,4-dimethoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 62097486
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 103293154
4-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292345
1-[(2-fluoro-3-methoxyphenyl)methylcarbamoyl]cycloheptane-1-carboxylic acid
CID 146138199
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
(2R)-2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-2-phenylacetamide
CID 103292472

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid (CID 103293265) is 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is COc1cccc(Cl)c1CNC(=O)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DBDBKKWXXLEOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO4/c1-19-10-4-2-3-9(14)8(10)7-15-11(16)13(5-6-13)12(17)18/h2-4H,5-7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid?
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 283.71 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103293265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).