4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid

C9H16FNO2 — CID 115017809

IUPAC4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCC(F)CC1CN(C)CC1C(=O)O
InChIInChI=1S/C9H16FNO2/c1-6(10)3-7-4-11(2)5-8(7)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCQKOHZVURLPPMS-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.00
Rot. Bonds3

About 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid

4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 115017809) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID115017809
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCC(F)CC1CN(C)CC1C(=O)O
InChIInChI=1S/C9H16FNO2/c1-6(10)3-7-4-11(2)5-8(7)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13)
InChIKeyCQKOHZVURLPPMS-UHFFFAOYSA-N
XLogP1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid (CID 115017809) is 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid is CC(F)CC1CN(C)CC1C(=O)O.
What is the InChIKey of 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is CQKOHZVURLPPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-6(10)3-7-4-11(2)5-8(7)9(12)13/h6-8H,3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid?
4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 115017809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).