1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid

C16H27FN2O4 — CID 119258593

IUPAC1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H27FN2O4/c1-3-9-18(10-4-2)13(20)6-5-7-14(21)19-11-8-16(17,12-19)15(22)23/h3-12H2,1-2H3,(H,22,23)
InChIKeyOJRFNKXMBJJKAH-UHFFFAOYSA-N
MW330.40 g/mol
LogP1.83
Rot. Bonds9

About 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid

1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid (PubChem CID 119258593) has the molecular formula C16H27FN2O4 and a molecular weight of 330.40 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid
PubChem CID119258593
Molecular FormulaC16H27FN2O4
Molecular Weight330.40 g/mol
Exact Mass330.20
IUPAC Name1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)CCCC(=O)N1CCC(F)(C(=O)O)C1
InChIInChI=1S/C16H27FN2O4/c1-3-9-18(10-4-2)13(20)6-5-7-14(21)19-11-8-16(17,12-19)15(22)23/h3-12H2,1-2H3,(H,22,23)
InChIKeyOJRFNKXMBJJKAH-UHFFFAOYSA-N
XLogP1.83
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid (CID 119258593) is 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid is CCCN(CCC)C(=O)CCCC(=O)N1CCC(F)(C(=O)O)C1.
What is the InChIKey of 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
The InChIKey is OJRFNKXMBJJKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O4/c1-3-9-18(10-4-2)13(20)6-5-7-14(21)19-11-8-16(17,12-19)15(22)23/h3-12H2,1-2H3,(H,22,23).
What are the key properties of 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid?
1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid has a molecular weight of 330.40 g/mol, XLogP of 1.83, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-5-oxopentanoyl]-3-fluoropyrrolidine-3-carboxylic acid is sourced from PubChem (CID 119258593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).