2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid

C14H25NO3 — CID 82985562

IUPAC2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(CCC)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-7-11(8-5-2)12(16)15-10-6-9-14(15,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyGWDPZWPYCAJFRC-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.67
Rot. Bonds6

About 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid

2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 82985562) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID82985562
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Name2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(CCC)C(=O)N1CCCC1(C)C(=O)O
InChIInChI=1S/C14H25NO3/c1-4-7-11(8-5-2)12(16)15-10-6-9-14(15,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18)
InChIKeyGWDPZWPYCAJFRC-UHFFFAOYSA-N
XLogP2.67
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid (CID 82985562) is 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid is CCCC(CCC)C(=O)N1CCCC1(C)C(=O)O.
What is the InChIKey of 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is GWDPZWPYCAJFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-4-7-11(8-5-2)12(16)15-10-6-9-14(15,3)13(17)18/h11H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid?
2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 255.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-propylpentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82985562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).