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

C11H19NO4 — CID 97294503

IUPAC2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,7-12)5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyNLIHIKJCORNUSV-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds2

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

2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 97294503) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID97294503
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,7-12)5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyNLIHIKJCORNUSV-UHFFFAOYSA-N
XLogP1.72
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.72
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
1-[(Tert-butoxy)carbonyl]-2-methylazetidine-2-carboxylic acid
CID 21866332
1-(1,1-Dimethylethyl) 3-ethyl-1,3-azetidinedicarboxylate
CID 45095729
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
2-(1-((Tert-butoxy)carbonyl)-3-fluoroazetidin-3-yl)acetic acid
CID 72207817
2-(1-((Tert-butoxy)carbonyl)-3-methoxyazetidin-3-yl)acetic acid
CID 97294504
2-{1-[(Tert-butoxy)carbonyl]azetidin-3-yl}-2,2-difluoroacetic acid
CID 105509227
2-{1-[(Tert-butoxy)carbonyl]-3-(dimethylamino)azetidin-3-yl}acetic acid
CID 107141476
2-(1-(Tert-butoxycarbonyl)azetidin-3-yl)-2-fluoroacetic acid
CID 112756270

Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 97294503) is 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is CC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is NLIHIKJCORNUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)16-9(15)12-6-11(4,7-12)5-8(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 97294503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).