4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid

C14H26N2O4 — CID 66246693

IUPAC4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-15(6-2)13(17)10(4)16(7-3)12-9-20-8-11(12)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyCVRAJBZBSHEPFW-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.66
Rot. Bonds7

About 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid

4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid (PubChem CID 66246693) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
PubChem CID66246693
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N(CC)C1COCC1C(=O)O
InChIInChI=1S/C14H26N2O4/c1-5-15(6-2)13(17)10(4)16(7-3)12-9-20-8-11(12)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19)
InChIKeyCVRAJBZBSHEPFW-UHFFFAOYSA-N
XLogP0.66
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[ethyl-[1-oxo-1-(propan-2-ylamino)propan-2-yl]amino]oxolane-3-carboxylic acid
CID 66246896
4-[ethyl-[1-(2-methylpropylamino)-1-oxopropan-2-yl]amino]oxolane-3-carboxylic acid
CID 66245904
4-[ethyl(pentan-2-yl)amino]oxolane-3-carboxylic acid
CID 66247901
4-[1-cyclohexylethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66245323
4-[ethyl-[ethyl(2-methylbutyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 79482624
4-[ethyl(2-methylpentanoyl)amino]oxolane-3-carboxylic acid
CID 66245844
4-[ethyl(1-pyrazin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66247498
4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[[1-(dimethylamino)-1-oxopropan-2-yl]carbamoyl-ethylamino]oxolane-3-carboxylic acid
CID 66246519
4-[ethyl(2-methylpropoxycarbonyl)amino]oxolane-3-carboxylic acid
CID 66246438
4-[ethyl-[ethyl(2-methylprop-2-enyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66245341
4-[ethyl-[1-(1,3-thiazol-5-yl)ethyl]amino]oxolane-3-carboxylic acid
CID 113487083

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid (CID 66246693) is 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid is CCN(CC)C(=O)C(C)N(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid?
The InChIKey is CVRAJBZBSHEPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-15(6-2)13(17)10(4)16(7-3)12-9-20-8-11(12)14(18)19/h10-12H,5-9H2,1-4H3,(H,18,19).
What are the key properties of 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid?
4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid has a molecular weight of 286.37 g/mol, XLogP of 0.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(diethylamino)-1-oxopropan-2-yl]-ethylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66246693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).