1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid

C11H22N2O2 — CID 62389636

IUPAC1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCC1
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)9-8-12-11(10(14)15)6-5-7-11/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyUVJMXWJZLVBCNL-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.93
Rot. Bonds7

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

1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid (PubChem CID 62389636) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
PubChem CID62389636
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid
SMILESCCN(CC)CCNC1(C(=O)O)CCC1
InChIInChI=1S/C11H22N2O2/c1-3-13(4-2)9-8-12-11(10(14)15)6-5-7-11/h12H,3-9H2,1-2H3,(H,14,15)
InChIKeyUVJMXWJZLVBCNL-UHFFFAOYSA-N
XLogP0.93
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylate
CID 62389297
3-[2-(diethylamino)ethylamino]-1,1-dioxothiane-3-carboxylic acid
CID 63910843
1-[2-(diethylamino)ethylamino]cyclooctane-1-carboxamide
CID 61005401
1-[2-(diethylamino)ethylamino]-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 107449379
1-[2-(diethylamino)ethylamino]-3-methoxycyclohexane-1-carboxylic acid
CID 106873019
1-[2-(diethylamino)ethylamino]cyclopropane-1-carboxamide
CID 104577737
1-(propylamino)cycloheptane-1-carboxylic acid
CID 43754029
1-[2-(diethylamino)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62095043
4-[2-(diethylamino)ethylamino]-1-methylazepane-4-carboxamide
CID 65074848
1-[2-(diethylamino)ethylamino]-2-methylcyclopentane-1-carboxylic acid
CID 65045444
1-[[3-(diethylamino)propyl-ethylcarbamoyl]amino]cyclobutane-1-carboxylic acid
CID 102995551
[1-[2-(diethylamino)ethylamino]-2,2-dimethylcyclopentyl]methanol
CID 79863280

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid (CID 62389636) is 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid is CCN(CC)CCNC1(C(=O)O)CCC1.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid?
The InChIKey is UVJMXWJZLVBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-13(4-2)9-8-12-11(10(14)15)6-5-7-11/h12H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid?
1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid has a molecular weight of 214.31 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62389636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).