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

C11H19NO4 — CID 96802088

IUPAC(2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
SMILESC[C@@H](C(=O)O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-/m1/s1
InChIKeyXKKBEUZFWAVZFQ-SSDOTTSWSA-N
MW229.28 g/mol
LogP1.57
Rot. Bonds2

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

(2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid (PubChem CID 96802088) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
PubChem CID96802088
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid
SMILESC[C@@H](C(=O)O)C1CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-/m1/s1
InChIKeyXKKBEUZFWAVZFQ-SSDOTTSWSA-N
XLogP1.57
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 ≤ 51.57
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
1-((Tert-butoxy)carbonyl)-3-methylazetidine-2-carboxylic acid
CID 67222802
2-(1-((Tert-butoxy)carbonyl)-3-methylazetidin-3-yl)acetic acid
CID 97294503
rac-(2R,3S)-1-[(tert-butoxy)carbonyl]-3-methylazetidine-2-carboxylic acid
CID 126721603
1-[(Tert-butoxy)carbonyl]-2,2-dimethylazetidine-3-carboxylic acid
CID 131307269

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid?
The IUPAC name of (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid (CID 96802088) is (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid?
The canonical SMILES for (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid is C[C@@H](C(=O)O)C1CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid?
The InChIKey is XKKBEUZFWAVZFQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(9(13)14)8-5-12(6-8)10(15)16-11(2,3)4/h7-8H,5-6H2,1-4H3,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid?
(2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]propanoic acid is sourced from PubChem (CID 96802088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).