4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid

C12H20N2O4 — CID 66246691

IUPAC4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)N1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13(6-11(15)14-4-3-5-14)10-8-18-7-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyJPMHMDXQUABMHX-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.36
Rot. Bonds5

About 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid

4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246691) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246691
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CC(=O)N1CCC1)C1COCC1C(=O)O
InChIInChI=1S/C12H20N2O4/c1-2-13(6-11(15)14-4-3-5-14)10-8-18-7-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,16,17)
InChIKeyJPMHMDXQUABMHX-UHFFFAOYSA-N
XLogP-0.36
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[2-cyanoethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66247455
4-[ethyl-[(2-methylpyrazol-3-yl)methyl]amino]oxolane-3-carboxylic acid
CID 66246701
4-[2-piperidin-1-ylethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254024
4-[ethyl(thiolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 107133723
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[(3,5-dimethylpiperidine-1-carbonyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245344
4-[ethyl(4-methylsulfanylbutyl)amino]oxolane-3-carboxylic acid
CID 103090479
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[cycloheptylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66252514

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid (CID 66246691) is 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid is CCN(CC(=O)N1CCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is JPMHMDXQUABMHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-2-13(6-11(15)14-4-3-5-14)10-8-18-7-9(10)12(16)17/h9-10H,2-8H2,1H3,(H,16,17).
What are the key properties of 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid?
4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).