1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid

C13H14Cl2N2O3 — CID 65499998

IUPAC1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-13(11(18)19)6-3-7-17(13)12(20)16-10-8(14)4-2-5-9(10)15/h2,4-5H,3,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyMZHJJBMVXMPAQP-UHFFFAOYSA-N
MW317.17 g/mol
LogP3.46
Rot. Bonds2

About 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid

1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 65499998) has the molecular formula C13H14Cl2N2O3 and a molecular weight of 317.17 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID65499998
Molecular FormulaC13H14Cl2N2O3
Molecular Weight317.17 g/mol
Exact Mass316.04
IUPAC Name1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CCCN1C(=O)Nc1c(Cl)cccc1Cl
InChIInChI=1S/C13H14Cl2N2O3/c1-13(11(18)19)6-3-7-17(13)12(20)16-10-8(14)4-2-5-9(10)15/h2,4-5H,3,6-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyMZHJJBMVXMPAQP-UHFFFAOYSA-N
XLogP3.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.17
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid (CID 65499998) is 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CCCN1C(=O)Nc1c(Cl)cccc1Cl.
What is the InChIKey of 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is MZHJJBMVXMPAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O3/c1-13(11(18)19)6-3-7-17(13)12(20)16-10-8(14)4-2-5-9(10)15/h2,4-5H,3,6-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid?
1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 317.17 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)carbamoyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 65499998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).