1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid

C15H20N2O2 — CID 62975481

IUPAC1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCN(C3CC3)C2)c1
InChIInChI=1S/C15H20N2O2/c1-11-3-2-4-12(9-11)16-15(14(18)19)7-8-17(10-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3,(H,18,19)
InChIKeyNHHZVINNJJUSHI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.10
Rot. Bonds4

About 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid

1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid (PubChem CID 62975481) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
PubChem CID62975481
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(NC2(C(=O)O)CCN(C3CC3)C2)c1
InChIInChI=1S/C15H20N2O2/c1-11-3-2-4-12(9-11)16-15(14(18)19)7-8-17(10-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3,(H,18,19)
InChIKeyNHHZVINNJJUSHI-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid (CID 62975481) is 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid is Cc1cccc(NC2(C(=O)O)CCN(C3CC3)C2)c1.
What is the InChIKey of 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid?
The InChIKey is NHHZVINNJJUSHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-11-3-2-4-12(9-11)16-15(14(18)19)7-8-17(10-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3,(H,18,19).
What are the key properties of 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid?
1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid has a molecular weight of 260.34 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3-methylanilino)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62975481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).