1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid

C11H19NO3 — CID 164653141

IUPAC1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid
SMILESCC1(C)OCCC1CN1CCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2)8(4-6-15-11)7-12-5-3-9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyLCZFGRUXMTXJIH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds3

About 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid

1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid (PubChem CID 164653141) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid
PubChem CID164653141
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid
SMILESCC1(C)OCCC1CN1CCC1C(=O)O
InChIInChI=1S/C11H19NO3/c1-11(2)8(4-6-15-11)7-12-5-3-9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14)
InChIKeyLCZFGRUXMTXJIH-UHFFFAOYSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-2,2-dimethyloxolane-3-carboxylic acid
CID 124539892
(2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylic acid
CID 51440975
1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
1-(oxolan-3-ylmethyl)pyrrolidine-2-carboxylic acid
CID 61313231
1-ethylpyrrolidine-2-carboxylic acid
CID 19371949
CID 66737893
CID 66737893
1-[(5-ethylfuran-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65056029
1-(oxan-2-ylmethyl)piperidine-2-carboxylic acid
CID 43441213
1-(3-carboxypropyl)azetidine-2-carboxylic acid
CID 145117492
1-(2,2-dimethyloxan-3-yl)propan-2-one
CID 14027507
(2S)-1-(2-deuterioethyl)pyrrolidine-2-carboxylic acid
CID 142681934
(2S)-1-propylpyrrolidine-2-carboxylic acid;hydrochloride
CID 67785488

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid?
The IUPAC name of 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid (CID 164653141) is 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid is CC1(C)OCCC1CN1CCC1C(=O)O.
What is the InChIKey of 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid?
The InChIKey is LCZFGRUXMTXJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-11(2)8(4-6-15-11)7-12-5-3-9(12)10(13)14/h8-9H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid?
1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyloxolan-3-yl)methyl]azetidine-2-carboxylic acid is sourced from PubChem (CID 164653141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).