3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid

C10H16FNO4 — CID 167720791

IUPAC3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(F)CCN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-7(13)10(11)4-5-12(6-10)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyCOFLVYVHEDGANC-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.42
Rot. Bonds1

About 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid

3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid (PubChem CID 167720791) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
PubChem CID167720791
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid
SMILESCC(C)(C)OC(=O)C1(F)CCN(C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-9(2,3)16-7(13)10(11)4-5-12(6-10)8(14)15/h4-6H2,1-3H3,(H,14,15)
InChIKeyCOFLVYVHEDGANC-UHFFFAOYSA-N
XLogP1.42
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 3-O-methyl (3R)-3-fluoropyrrolidine-1,3-dicarboxylate
CID 86685754
2-[(2-methylpropan-2-yl)oxycarbonyl]-2,7-diazaspiro[3.4]octane-7-carboxylic acid
CID 123916808
4-amino-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 67155743
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447
3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 154499622
tert-butyl 4-carbonochloridoyl-4-fluoropiperidine-1-carboxylate
CID 59658463
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
1-O-tert-butyl 3-O-ethyl (3R)-3-fluoropiperidine-1,3-dicarboxylate
CID 86334070
(4S)-3,3-difluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-1-carboxylic acid
CID 162368152
4-[(2-methylpropan-2-yl)oxycarbonyl]-4-(2-methylpropyl)piperidine-1-carboxylic acid
CID 70873051
CID 87631094
CID 87631094
tert-butyl 3-fluoro-3-[(3S)-3-methyl-3-propan-2-ylpyrrolidine-1-carbonyl]azetidine-1-carboxylate
CID 118444608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid (CID 167720791) is 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid is CC(C)(C)OC(=O)C1(F)CCN(C(=O)O)C1.
What is the InChIKey of 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid?
The InChIKey is COFLVYVHEDGANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-9(2,3)16-7(13)10(11)4-5-12(6-10)8(14)15/h4-6H2,1-3H3,(H,14,15).
What are the key properties of 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid?
3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid has a molecular weight of 233.24 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 167720791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).