4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid

C14H18N2O4 — CID 66250103

IUPAC4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NC2COCC2(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-8-3-4-9(12(15)17)10(5-8)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyHVTQRVAITZFKQP-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.00
Rot. Bonds4

About 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid

4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid (PubChem CID 66250103) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
PubChem CID66250103
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid
SMILESCc1ccc(C(N)=O)c(NC2COCC2(C)C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-8-3-4-9(12(15)17)10(5-8)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyHVTQRVAITZFKQP-UHFFFAOYSA-N
XLogP1.00
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid (CID 66250103) is 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid is Cc1ccc(C(N)=O)c(NC2COCC2(C)C(=O)O)c1.
What is the InChIKey of 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid?
The InChIKey is HVTQRVAITZFKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-3-4-9(12(15)17)10(5-8)16-11-6-20-7-14(11,2)13(18)19/h3-5,11,16H,6-7H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid?
4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-carbamoyl-5-methylanilino)-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66250103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).