2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid

C10H17FN2O2 — CID 126509861

IUPAC2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CN1CCC(F)C1
InChIInChI=1S/C10H17FN2O2/c11-8-3-5-12(6-8)7-9-2-1-4-13(9)10(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyLHEYYCQTVFXXTQ-UHFFFAOYSA-N
MW216.26 g/mol
LogP1.17
Rot. Bonds2

About 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid

2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid (PubChem CID 126509861) has the molecular formula C10H17FN2O2 and a molecular weight of 216.26 g/mol. Its IUPAC name is 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
PubChem CID126509861
Molecular FormulaC10H17FN2O2
Molecular Weight216.26 g/mol
Exact Mass216.13
IUPAC Name2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1CN1CCC(F)C1
InChIInChI=1S/C10H17FN2O2/c11-8-3-5-12(6-8)7-9-2-1-4-13(9)10(14)15/h8-9H,1-7H2,(H,14,15)
InChIKeyLHEYYCQTVFXXTQ-UHFFFAOYSA-N
XLogP1.17
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
2-(cyanomethyl)pyrrolidine-1-carboxylic acid
CID 22500499
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
(2S)-2-(aminomethyl)pyrrolidine-1-carboxylic acid;2-chloro-2-methylpropane
CID 175444438
2-methyl-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 58333477
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
(2S)-2-[2-(diethylamino)ethyl]pyrrolidine-1-carboxylic acid
CID 126573244
ethane;2-methyl-1-[2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 143767685
(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
CID 175271625
(E)-4-(3-fluoropyrrolidin-1-yl)but-2-enoic acid
CID 130283749

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid (CID 126509861) is 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1CN1CCC(F)C1.
What is the InChIKey of 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid?
The InChIKey is LHEYYCQTVFXXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FN2O2/c11-8-3-5-12(6-8)7-9-2-1-4-13(9)10(14)15/h8-9H,1-7H2,(H,14,15).
What are the key properties of 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid?
2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid has a molecular weight of 216.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluoropyrrolidin-1-yl)methyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 126509861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).