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

C11H19NO5 — CID 97294504

IUPAC2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-11(7-12,16-4)5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyAJGHLLPKZWAQQI-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds3

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

2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 97294504) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID97294504
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILESCOC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-11(7-12,16-4)5-8(13)14/h5-7H2,1-4H3,(H,13,14)
InChIKeyAJGHLLPKZWAQQI-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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Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 97294504) is 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is COC1(CC(=O)O)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is AJGHLLPKZWAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-10(2,3)17-9(15)12-6-11(7-12,16-4)5-8(13)14/h5-7H2,1-4H3,(H,13,14).
What are the key properties of 2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic 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-[3-methoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 97294504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).