1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid

C11H19NO3 — CID 81167545

IUPAC1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)11(5-2-6-11)12-7-4-9-3-1-8-15-9/h9,12H,1-8H2,(H,13,14)
InChIKeyGZFYDWVNFDCEHE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.15
Rot. Bonds5

About 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid

1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 81167545) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID81167545
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCCC2CCCO2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)11(5-2-6-11)12-7-4-9-3-1-8-15-9/h9,12H,1-8H2,(H,13,14)
InChIKeyGZFYDWVNFDCEHE-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(oxan-2-yl)acetyl]amino]cyclobutane-1-carboxylic acid
CID 81158596
1-(oxolan-2-ylmethylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088728
1-(oxolan-2-ylmethylamino)-4-propan-2-ylcycloheptane-1-carboxylic acid
CID 65088729
4-[3-(oxolan-2-yl)propylcarbamoylamino]oxane-4-carboxylic acid
CID 106528159
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
3-(oxolan-2-ylmethylamino)azetidine-3-carboxylic acid
CID 132594065
(E)-4-[2-(oxolan-2-yl)ethylamino]but-2-enoic acid
CID 103242463
1-(oxan-2-ylmethylcarbamoylamino)cyclobutane-1-carboxylic acid
CID 81162688
3-methyl-1-[[2-(oxolan-2-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 65157180
methyl 1-(oxolan-2-ylmethylamino)cyclobutane-1-carboxylate
CID 62389460
N-methyl-2-[2-(oxolan-2-yl)ethylamino]acetamide
CID 61039623
1-(aminomethyl)-N-[2-(oxolan-2-yl)ethyl]cyclopropane-1-carboxamide
CID 80588355

Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid (CID 81167545) is 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCCC2CCCO2)CCC1.
What is the InChIKey of 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is GZFYDWVNFDCEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)11(5-2-6-11)12-7-4-9-3-1-8-15-9/h9,12H,1-8H2,(H,13,14).
What are the key properties of 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid?
1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxolan-2-yl)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81167545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).