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

C10H17NO4 — CID 164888810

IUPAC2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILES[2H]C([2H])(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/i4D2
InChIKeyVEFHUWJIRFTGRB-APZFVMQVSA-N
MW217.26 g/mol
LogP1.33
Rot. Bonds2

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

2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (PubChem CID 164888810) has the molecular formula C10H17NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
PubChem CID164888810
Molecular FormulaC10H17NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid
SMILES[2H]C([2H])(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/i4D2
InChIKeyVEFHUWJIRFTGRB-APZFVMQVSA-N
XLogP1.33
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.33
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
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]azetidin-3-yl}-2-hydroxyacetic acid
CID 58520870
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
2-(1-((Tert-butoxy)carbonyl)-3-methylazetidin-3-yl)acetic acid
CID 97294503
3-{[(Tert-butoxy)carbonyl](methyl)amino}cyclobutane-1-carboxylic acid
CID 118798285

Frequently Asked Questions

What is the IUPAC name of 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The IUPAC name of 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid (CID 164888810) is 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The canonical SMILES for 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is [2H]C([2H])(C(=O)O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
The InChIKey is VEFHUWJIRFTGRB-APZFVMQVSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,3)15-9(14)11-5-7(6-11)4-8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/i4D2.
What are the key properties of 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid?
2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid has a molecular weight of 217.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dideuterio-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]acetic acid is sourced from PubChem (CID 164888810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).