4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid

C12H22N2O4 — CID 66247672

IUPAC4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
SMILESCCNC(=O)CCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-13-11(15)5-6-14(4-2)10-8-18-7-9(10)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNQFBAKQWIZUTPE-UHFFFAOYSA-N
MW258.32 g/mol
LogP-0.07
Rot. Bonds7

About 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid

4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid (PubChem CID 66247672) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
PubChem CID66247672
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Name4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid
SMILESCCNC(=O)CCN(CC)C1COCC1C(=O)O
InChIInChI=1S/C12H22N2O4/c1-3-13-11(15)5-6-14(4-2)10-8-18-7-9(10)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyNQFBAKQWIZUTPE-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(3-methylbutyl)amino]oxolane-3-carboxylic acid
CID 66245116
4-[2-cyanoethyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66247455
4-[3-ethoxypropyl(ethyl)amino]oxolane-3-carboxylic acid
CID 66246291
4-[ethyl(4-methylsulfanylbutyl)amino]oxolane-3-carboxylic acid
CID 103090479
4-[ethyl(2-pyrrolidin-1-ylethyl)amino]oxolane-3-carboxylic acid
CID 66244916
4-[(3-cyano-3-methylbutyl)-ethylamino]oxolane-3-carboxylic acid
CID 66245119
4-[cyclopropylmethyl(propyl)amino]oxolane-3-carboxylic acid
CID 66253255
4-[[2-(methoxycarbonylamino)-2-oxoethyl]-propylamino]oxolane-3-carboxylic acid
CID 66253469
4-[[2-(azetidin-1-yl)-2-oxoethyl]-ethylamino]oxolane-3-carboxylic acid
CID 66246691
4-[[3-(carbamoylamino)-3-oxopropyl]-methylamino]oxolane-3-carboxylic acid
CID 66236826
4-[ethyl(2-pyridin-2-ylethyl)amino]oxolane-3-carboxylic acid
CID 66245310
4-[ethyl(methylcarbamoyl)amino]oxolane-3-carboxylic acid
CID 66245135

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid (CID 66247672) is 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid is CCNC(=O)CCN(CC)C1COCC1C(=O)O.
What is the InChIKey of 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid?
The InChIKey is NQFBAKQWIZUTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-3-13-11(15)5-6-14(4-2)10-8-18-7-9(10)12(16)17/h9-10H,3-8H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid?
4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid has a molecular weight of 258.32 g/mol, XLogP of -0.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[3-(ethylamino)-3-oxopropyl]amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66247672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).