1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid

C10H16FNO3 — CID 130561860

IUPAC1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(C)(C)F)CC1C(=O)O
InChIInChI=1S/C10H16FNO3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyPPLCNEBJYHOWDU-UHFFFAOYSA-N
MW217.24 g/mol
LogP0.91
Rot. Bonds2

About 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid

1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 130561860) has the molecular formula C10H16FNO3 and a molecular weight of 217.24 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
PubChem CID130561860
Molecular FormulaC10H16FNO3
Molecular Weight217.24 g/mol
Exact Mass217.11
IUPAC Name1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)C(C)(C)F)CC1C(=O)O
InChIInChI=1S/C10H16FNO3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyPPLCNEBJYHOWDU-UHFFFAOYSA-N
XLogP0.91
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-amino-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63720560
4-methyl-1-[2-methyl-2-(methylamino)propanoyl]pyrrolidine-3-carboxylic acid
CID 63719521
ethane;2-fluoro-2-methyl-1-(3-methylpyrrolidin-1-yl)propan-1-one
CID 177053865
1-(3,4-dimethylpyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 79036490
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]acetyl]pyrrolidine-3-carboxylic acid
CID 112602165
1-(3-amino-3-methylbutanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 64678468
(3S,4S)-1-(4,4-dimethylpentanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120953561
(3S,4S)-1-[2-(3-chlorophenyl)-2-methylpropanoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120951924
(3S,4S)-1-(5,5-dimethylhexanoyl)-4-methylpyrrolidine-3-carboxylic acid
CID 120952384
(3S,4S)-1-(2,2-dimethylbutanoyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951156
4-methyl-1-[1-(2,2,2-trifluoroethyl)pyrrole-2-carbonyl]pyrrolidine-3-carboxylic acid
CID 114608850
1-(cyclobutanecarbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721542

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid (CID 130561860) is 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)C(C)(C)F)CC1C(=O)O.
What is the InChIKey of 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is PPLCNEBJYHOWDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO3/c1-6-4-12(5-7(6)8(13)14)9(15)10(2,3)11/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid?
1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 217.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropanoyl)-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 130561860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).