(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

C13H16FNO4 — CID 129470416

IUPAC(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccoc1C(=O)N1CC[C@](F)(C(=O)O)C1
InChIInChI=1S/C13H16FNO4/c1-8(2)9-3-6-19-10(9)11(16)15-5-4-13(14,7-15)12(17)18/h3,6,8H,4-5,7H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHMAGUVKXEUZCHQ-CYBMUJFWSA-N
MW269.27 g/mol
LogP2.04
Rot. Bonds3

About (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid

(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 129470416) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID129470416
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCC(C)c1ccoc1C(=O)N1CC[C@](F)(C(=O)O)C1
InChIInChI=1S/C13H16FNO4/c1-8(2)9-3-6-19-10(9)11(16)15-5-4-13(14,7-15)12(17)18/h3,6,8H,4-5,7H2,1-2H3,(H,17,18)/t13-/m1/s1
InChIKeyHMAGUVKXEUZCHQ-CYBMUJFWSA-N
XLogP2.04
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-3-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259234
3-fluoro-1-(1-methyl-2-oxoquinoline-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258324
3-[(3aR,6aS)-3a,6a-dimethyl-5-(3-propan-2-ylfuran-2-carbonyl)-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-methylpyrrolidin-2-one
CID 167800137
1-(3,4-dimethylbenzoyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119259545
3-fluoro-1-(2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258590
5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138009560
3-fluoro-1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 119258640
3-fluoro-1-[3-(2-methoxyphenyl)butanoyl]pyrrolidine-3-carboxylic acid
CID 119258794
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258577
(3-fluoro-3-methylpyrrolidin-1-yl)-(2-propan-2-ylphenyl)methanone
CID 164984129
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
3-fluoro-1-(5-methyl-1-propan-2-ylpyrazole-4-carbonyl)pyrrolidine-3-carboxylic acid
CID 120529696

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid (CID 129470416) is (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is CC(C)c1ccoc1C(=O)N1CC[C@](F)(C(=O)O)C1.
What is the InChIKey of (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HMAGUVKXEUZCHQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-8(2)9-3-6-19-10(9)11(16)15-5-4-13(14,7-15)12(17)18/h3,6,8H,4-5,7H2,1-2H3,(H,17,18)/t13-/m1/s1.
What are the key properties of (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid?
(3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 269.27 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-1-(3-propan-2-ylfuran-2-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 129470416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).