2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid

C15H21NO2 — CID 79383005

IUPAC2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(Cc1ccccc1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO2/c1-11(10-13-6-4-3-5-7-13)16-9-8-14(12(16)2)15(17)18/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyKNJPQQNHBVQVCY-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid

2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 79383005) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID79383005
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid
SMILESCC(Cc1ccccc1)N1CCC(C(=O)O)C1C
InChIInChI=1S/C15H21NO2/c1-11(10-13-6-4-3-5-7-13)16-9-8-14(12(16)2)15(17)18/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,18)
InChIKeyKNJPQQNHBVQVCY-UHFFFAOYSA-N
XLogP2.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid (CID 79383005) is 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid is CC(Cc1ccccc1)N1CCC(C(=O)O)C1C.
What is the InChIKey of 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is KNJPQQNHBVQVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11(10-13-6-4-3-5-7-13)16-9-8-14(12(16)2)15(17)18/h3-7,11-12,14H,8-10H2,1-2H3,(H,17,18).
What are the key properties of 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid?
2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(1-phenylpropan-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 79383005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).