(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid

C11H19NO4 — CID 126560664

IUPAC(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)[C@@](C)(OC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)11(4,8(13)14)16-9(15)12-6-5-7-12/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChIKeyPLGPTOMZSZAPFM-NSHDSACASA-N
MW229.28 g/mol
LogP1.72
Rot. Bonds2

About (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid

(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid (PubChem CID 126560664) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid
PubChem CID126560664
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid
SMILESCC(C)(C)[C@@](C)(OC(=O)N1CCC1)C(=O)O
InChIInChI=1S/C11H19NO4/c1-10(2,3)11(4,8(13)14)16-9(15)12-6-5-7-12/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1
InChIKeyPLGPTOMZSZAPFM-NSHDSACASA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl azetidine-1-carboxylate iodide
CID 86693715
tert-butyl pyrrolidine-1-carboxylate;ethane;methanol
CID 142181784
tert-butyl azacyclopentadecane-1-carboxylate
CID 11771344
tert-butyl 5-methyl-1,5-diazocane-1-carboxylate
CID 170409764
azane;tert-butyl piperidine-1-carboxylate
CID 134583959
2-phenylpropan-2-yl azetidine-1-carboxylate
CID 170530047
2-methyl-2-(piperazine-1-carbonyloxy)propanoic acid
CID 155064657
tert-butyl 4-alumanyl-1,4-diazepane-1-carboxylate
CID 154554278
tert-butyl 1,4-diazocane-1-carboxylate
CID 57366413
tert-butyl (5Z)-2,3,4,7,8,9-hexahydroazonine-1-carboxylate
CID 15418755
(1-amino-1-fluoroethyl) piperidine-1-carboxylate
CID 156636522
(2-methyl-1-piperidin-4-ylpropan-2-yl) azetidine-1-carboxylate
CID 175439126

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid?
The IUPAC name of (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid (CID 126560664) is (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid.
What is the SMILES notation for (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid?
The canonical SMILES for (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid is CC(C)(C)[C@@](C)(OC(=O)N1CCC1)C(=O)O.
What is the InChIKey of (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid?
The InChIKey is PLGPTOMZSZAPFM-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NO4/c1-10(2,3)11(4,8(13)14)16-9(15)12-6-5-7-12/h5-7H2,1-4H3,(H,13,14)/t11-/m0/s1.
What are the key properties of (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid?
(2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(azetidine-1-carbonyloxy)-2,3,3-trimethylbutanoic acid is sourced from PubChem (CID 126560664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).