ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid

C12H25NO4 — CID 144897395

IUPACethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC.CC(C)CCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4.C2H6/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14;1-2/h8H,4-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyJMZBNLWUOXNVMO-UHFFFAOYSA-N
MW247.33 g/mol
LogP1.62
Rot. Bonds7

About ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid

ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (PubChem CID 144897395) has the molecular formula C12H25NO4 and a molecular weight of 247.33 g/mol. Its IUPAC name is ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Nameethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
PubChem CID144897395
Molecular FormulaC12H25NO4
Molecular Weight247.33 g/mol
Exact Mass247.18
IUPAC Nameethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
SMILESCC.CC(C)CCN(C)C(=O)COCC(=O)O
InChIInChI=1S/C10H19NO4.C2H6/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14;1-2/h8H,4-7H2,1-3H3,(H,13,14);1-2H3
InChIKeyJMZBNLWUOXNVMO-UHFFFAOYSA-N
XLogP1.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid (CID 144897395) is ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is CC.CC(C)CCN(C)C(=O)COCC(=O)O.
What is the InChIKey of ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is JMZBNLWUOXNVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4.C2H6/c1-8(2)4-5-11(3)9(12)6-15-7-10(13)14;1-2/h8H,4-7H2,1-3H3,(H,13,14);1-2H3.
What are the key properties of ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid?
ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 247.33 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 144897395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).