5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid

C14H16ClNO5 — CID 103291819

IUPAC5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(Cl)c1CNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H16ClNO5/c1-20-10-4-2-3-9(15)8(10)7-16-13(17)11-5-6-12(21-11)14(18)19/h2-4,11-12H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyRPYGFSSGNNAZEL-UHFFFAOYSA-N
MW313.74 g/mol
LogP1.60
Rot. Bonds5

About 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid

5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid (PubChem CID 103291819) has the molecular formula C14H16ClNO5 and a molecular weight of 313.74 g/mol. Its IUPAC name is 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
PubChem CID103291819
Molecular FormulaC14H16ClNO5
Molecular Weight313.74 g/mol
Exact Mass313.07
IUPAC Name5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid
SMILESCOc1cccc(Cl)c1CNC(=O)C1CCC(C(=O)O)O1
InChIInChI=1S/C14H16ClNO5/c1-20-10-4-2-3-9(15)8(10)7-16-13(17)11-5-6-12(21-11)14(18)19/h2-4,11-12H,5-7H2,1H3,(H,16,17)(H,18,19)
InChIKeyRPYGFSSGNNAZEL-UHFFFAOYSA-N
XLogP1.60
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.74
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-[2-[(2-chloro-6-methoxyphenyl)methylamino]ethyl]cyclopropanecarboxamide
CID 115634738
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
1-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 103293265
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]cyclohexane-1-carboxamide
CID 103292388
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
(E)-N-[(2-chloro-6-methoxyphenyl)methyl]but-2-enamide
CID 103292106
(3S)-1-[(2,6-dichlorophenyl)methyl]-N-[(2,6-dimethoxyphenyl)methyl]piperidine-3-carboxamide
CID 100778330
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
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid (CID 103291819) is 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid is COc1cccc(Cl)c1CNC(=O)C1CCC(C(=O)O)O1.
What is the InChIKey of 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RPYGFSSGNNAZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO5/c1-20-10-4-2-3-9(15)8(10)7-16-13(17)11-5-6-12(21-11)14(18)19/h2-4,11-12H,5-7H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid?
5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid has a molecular weight of 313.74 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-6-methoxyphenyl)methylcarbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 103291819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).