2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

C10H16FNO4 — CID 112756270

IUPAC2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C(F)C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyJHUOTBNUINIFDO-UHFFFAOYSA-N
MW233.24 g/mol
LogP1.28
Rot. Bonds2

About 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid

2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 112756270) has the molecular formula C10H16FNO4 and a molecular weight of 233.24 g/mol. Its IUPAC name is 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID112756270
Molecular FormulaC10H16FNO4
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC(C)(C)OC(=O)N1CC(C(F)C(=O)O)C1
InChIInChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14)
InChIKeyJHUOTBNUINIFDO-UHFFFAOYSA-N
XLogP1.28
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)acetic acid
CID 11095989
2-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}propanoic acid
CID 68209765
4-{[(Tert-butoxy)carbonyl](methyl)amino}butanoic acid
CID 10656390
Tert-butyl 3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 15256325
tert-Butyl 3-(2-methoxy-2-oxoethyl)azetidine-1-carboxylate
CID 53249565
2-(1-((Tert-butoxy)carbonyl)-3-hydroxyazetidin-3-yl)acetic acid
CID 58520763
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
rac-(3R,4S)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid
CID 71743152
2-(1-((Tert-butoxy)carbonyl)-3-methylazetidin-3-yl)acetic acid
CID 97294503
rac-(2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
CID 126721603
2-(1-((Tert-butoxy)carbonyl)-3-fluoroazetidin-3-yl)acetic acid
CID 72207817
rac-(3R,4R)-1-[(tert-butoxy)carbonyl]-4-fluoropyrrolidine-3-carboxylic acid
CID 97289476

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 112756270) is 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CC(C)(C)OC(=O)N1CC(C(F)C(=O)O)C1.
What is the InChIKey of 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is JHUOTBNUINIFDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO4/c1-10(2,3)16-9(15)12-4-6(5-12)7(11)8(13)14/h6-7H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 233.24 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 112756270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).