(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid

C9H16FNO2 — CID 167294981

IUPAC(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H](F)CN1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C9H16FNO2/c1-7(10)6-11-5-3-4-9(11,2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyIRACMOLKDKWTLJ-VXNVDRBHSA-N
MW189.23 g/mol
LogP1.28
Rot. Bonds3

About (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid

(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 167294981) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
PubChem CID167294981
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC Name(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid
SMILESC[C@@H](F)CN1CCC[C@]1(C)C(=O)O
InChIInChI=1S/C9H16FNO2/c1-7(10)6-11-5-3-4-9(11,2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-,9-/m1/s1
InChIKeyIRACMOLKDKWTLJ-VXNVDRBHSA-N
XLogP1.28
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 ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboxylic acid
CID 115514664
2-methyl-1-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]piperidine-2-carboxylic acid
CID 113431104
1-[2-(butan-2-ylamino)-2-oxoethyl]-2-methylpiperidine-2-carboxylic acid
CID 113431112
(2S)-2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 129277159
1-but-2-ynyl-2-methylpiperidine-2-carboxylic acid
CID 104598631
2-methyl-1-pentan-2-ylpyrrolidine-2-carboxylic acid
CID 65071376
2-methyl-1-(3-methylpentan-2-yl)pyrrolidine-2-carboxylic acid
CID 65071311
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
1-(3-cyano-3-methylbutyl)-2-methylpyrrolidine-2-carboxylic acid
CID 65250624
CID 162348779
CID 162348779
1-(cyclohexylmethyl)-2-methylpiperidine-2-carboxylic acid
CID 104598472
1-(2,2-difluoroacetyl)-2-methylpiperidine-2-carboxylic acid
CID 103513470

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid (CID 167294981) is (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid is C[C@@H](F)CN1CCC[C@]1(C)C(=O)O.
What is the InChIKey of (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is IRACMOLKDKWTLJ-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-7(10)6-11-5-3-4-9(11,2)8(12)13/h7H,3-6H2,1-2H3,(H,12,13)/t7-,9-/m1/s1.
What are the key properties of (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid?
(2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 189.23 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2R)-2-fluoropropyl]-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167294981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).