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

C11H19NO5 — CID 77183536

IUPAC2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid
SMILESCC(OC1CN(C(=O)OC(C)(C)C)C1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-7(9(13)14)16-8-5-12(6-8)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyVGNPQZOMFHYPJU-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds3

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

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid (PubChem CID 77183536) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid.

Molecular Properties

Compound Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid
PubChem CID77183536
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid
SMILESCC(OC1CN(C(=O)OC(C)(C)C)C1)C(=O)O
InChIInChI=1S/C11H19NO5/c1-7(9(13)14)16-8-5-12(6-8)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)
InChIKeyVGNPQZOMFHYPJU-UHFFFAOYSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CID 1519383
4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 2755965
(2R)-4-((tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 6559076
(S)-4-(tert-Butoxycarbonyl)-1,4-oxazepane-2-carboxylic acid
CID 71305948
[2-(N-Boc-N-methyl-amino)-ethoxy]-acetic acid
CID 18442965
2-((1-((Tert-butoxy)carbonyl)azetidin-3-yl)oxy)acetic acid
CID 40429408
4-((Tert-butoxy)carbonyl)-1,4-oxazepane-2-carboxylic acid
CID 56972835
1-(1,1-Dimethylethyl) 3-(2-carboxyethoxy)-1-azetidinecarboxylate
CID 57659551
(2R)-4-((tert-butoxy)carbonyl)-1,4-oxazepane-2-carboxylic acid
CID 71305949
(R)-4-(Tert-butoxycarbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742810
(2S)-4-((tert-butoxy)carbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742812
4-[(Tert-butoxy)carbonyl]-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742817

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid?
The IUPAC name of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid (CID 77183536) is 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid.
What is the SMILES notation for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid?
The canonical SMILES for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid is CC(OC1CN(C(=O)OC(C)(C)C)C1)C(=O)O.
What is the InChIKey of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid?
The InChIKey is VGNPQZOMFHYPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-7(9(13)14)16-8-5-12(6-8)10(15)17-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid?
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]oxypropanoic acid is sourced from PubChem (CID 77183536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).