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

C11H19NO5 — CID 59746542

IUPAC2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-8(12)6-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyOFGGIUDFXUGMNC-QMMMGPOBSA-N
MW245.27 g/mol
LogP1.10
Rot. Bonds4

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

2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid (PubChem CID 59746542) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid.

Molecular Properties

Compound Name2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid
PubChem CID59746542
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid
SMILESCC(C)(C)OC(=O)N1CC[C@H]1COCC(=O)O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-8(12)6-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1
InChIKeyOFGGIUDFXUGMNC-QMMMGPOBSA-N
XLogP1.10
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid?
The IUPAC name of 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid (CID 59746542) is 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid.
What is the SMILES notation for 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid?
The canonical SMILES for 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid is CC(C)(C)OC(=O)N1CC[C@H]1COCC(=O)O.
What is the InChIKey of 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid?
The InChIKey is OFGGIUDFXUGMNC-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(15)12-5-4-8(12)6-16-7-9(13)14/h8H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid?
2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid has a molecular weight of 245.27 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-2-yl]methoxy]acetic acid is sourced from PubChem (CID 59746542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).