1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid

C14H18N2O4 — CID 62308087

IUPAC1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cc(C)ccc2C(N)=O)C1
InChIInChI=1S/C14H18N2O4/c1-8-3-4-10(13(15)17)11(5-8)16-7-9(20-2)6-12(16)14(18)19/h3-5,9,12H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyRWELOWMHJJHTIW-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.77
Rot. Bonds4

About 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid

1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid (PubChem CID 62308087) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid
PubChem CID62308087
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid
SMILESCOC1CC(C(=O)O)N(c2cc(C)ccc2C(N)=O)C1
InChIInChI=1S/C14H18N2O4/c1-8-3-4-10(13(15)17)11(5-8)16-7-9(20-2)6-12(16)14(18)19/h3-5,9,12H,6-7H2,1-2H3,(H2,15,17)(H,18,19)
InChIKeyRWELOWMHJJHTIW-UHFFFAOYSA-N
XLogP0.77
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid (CID 62308087) is 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid is COC1CC(C(=O)O)N(c2cc(C)ccc2C(N)=O)C1.
What is the InChIKey of 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid?
The InChIKey is RWELOWMHJJHTIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-8-3-4-10(13(15)17)11(5-8)16-7-9(20-2)6-12(16)14(18)19/h3-5,9,12H,6-7H2,1-2H3,(H2,15,17)(H,18,19).
What are the key properties of 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid?
1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamoyl-5-methylphenyl)-4-methoxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62308087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).