2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

C16H24N2O3 — CID 106977153

IUPAC2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-8-16(15(20)21)9-6-12-18(16)14(19)13-7-5-11-17(13)10-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3,(H,20,21)
InChIKeyVSRLHXMWVFCGDJ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.76
Rot. Bonds6

About 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid

2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 106977153) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID106977153
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCCCn1cccc1C(=O)N1CCCC1(CCC)C(=O)O
InChIInChI=1S/C16H24N2O3/c1-3-8-16(15(20)21)9-6-12-18(16)14(19)13-7-5-11-17(13)10-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3,(H,20,21)
InChIKeyVSRLHXMWVFCGDJ-UHFFFAOYSA-N
XLogP2.76
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid (CID 106977153) is 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is CCCn1cccc1C(=O)N1CCCC1(CCC)C(=O)O.
What is the InChIKey of 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VSRLHXMWVFCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-8-16(15(20)21)9-6-12-18(16)14(19)13-7-5-11-17(13)10-4-2/h5,7,11H,3-4,6,8-10,12H2,1-2H3,(H,20,21).
What are the key properties of 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid?
2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-1-(1-propylpyrrole-2-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106977153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).