4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid

C10H18N2O4 — CID 66267848

IUPAC4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)CN(C)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-11(2)9(13)4-12(3)8-6-16-5-7(8)10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyIYRISNIOMRMDBY-UHFFFAOYSA-N
MW230.26 g/mol
LogP-0.89
Rot. Bonds4

About 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid

4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid (PubChem CID 66267848) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
PubChem CID66267848
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
SMILESCN(C)C(=O)CN(C)C1COCC1C(=O)O
InChIInChI=1S/C10H18N2O4/c1-11(2)9(13)4-12(3)8-6-16-5-7(8)10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15)
InChIKeyIYRISNIOMRMDBY-UHFFFAOYSA-N
XLogP-0.89
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]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-[[2-(azepan-1-yl)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66236830
4-[3-chloroprop-2-enyl(methyl)amino]oxolane-3-carboxylic acid
CID 77135519
4-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid
CID 66235786
4-[methyl(2-propoxyethyl)amino]oxolane-3-carboxylic acid
CID 106454746
4-[methyl-[2-[(4-methylcyclohexyl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66237003
4-[methyl-[(4-methylcyclohexyl)methyl]amino]oxolane-3-carboxylic acid
CID 66266491
4-[methyl-[2-[(2-methyl-4-oxopentan-3-yl)amino]-2-oxoethyl]amino]oxolane-3-carboxylic acid
CID 66235178
4-[(1-hydroxycyclopentyl)methyl-methylamino]oxolane-3-carboxylic acid
CID 66237204
4-[methyl(oxolan-3-ylmethyl)amino]oxolane-3-carboxylic acid
CID 66238015
4-[methyl(3-methylbutan-2-yl)amino]oxolane-3-carboxylic acid
CID 66267091
4-[methyl(2-methylpentyl)amino]oxolane-3-carboxylic acid
CID 66236014
4-[methyl-[2-(propan-2-ylamino)acetyl]amino]oxolane-3-carboxylic acid
CID 66237430

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid (CID 66267848) is 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid is CN(C)C(=O)CN(C)C1COCC1C(=O)O.
What is the InChIKey of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid?
The InChIKey is IYRISNIOMRMDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-11(2)9(13)4-12(3)8-6-16-5-7(8)10(14)15/h7-8H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid?
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66267848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).