1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

C15H19ClN2O3 — CID 63720767

IUPAC1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyQWTYSSRQDKFFCC-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.54
Rot. Bonds3

About 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid

1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720767) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720767
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O
InChIInChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20)
InChIKeyQWTYSSRQDKFFCC-UHFFFAOYSA-N
XLogP2.54
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63720767) is 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)N(C)Cc2cccc(Cl)c2)CC1C(=O)O.
What is the InChIKey of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is QWTYSSRQDKFFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-7-18(9-13(10)14(19)20)15(21)17(2)8-11-4-3-5-12(16)6-11/h3-6,10,13H,7-9H2,1-2H3,(H,19,20).
What are the key properties of 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 310.78 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chlorophenyl)methyl-methylcarbamoyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).