2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid

C15H31NO4 — CID 82952538

IUPAC2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CCOCC)CCOCC)C(=O)O
InChIInChI=1S/C15H31NO4/c1-5-8-15(4,14(17)18)13-16(9-11-19-6-2)10-12-20-7-3/h5-13H2,1-4H3,(H,17,18)
InChIKeyOVSDRYROKWIQBK-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.25
Rot. Bonds13

About 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid

2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid (PubChem CID 82952538) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
PubChem CID82952538
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid
SMILESCCCC(C)(CN(CCOCC)CCOCC)C(=O)O
InChIInChI=1S/C15H31NO4/c1-5-8-15(4,14(17)18)13-16(9-11-19-6-2)10-12-20-7-3/h5-13H2,1-4H3,(H,17,18)
InChIKeyOVSDRYROKWIQBK-UHFFFAOYSA-N
XLogP2.25
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic 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

3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
CID 82951535
2-(bromomethyl)-N,N-bis(2-ethoxyethyl)-2-propylpentan-1-amine
CID 82938035
5-[2-ethoxyethyl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 63690528
2-amino-5-[bis(2-ethoxyethyl)amino]-2-ethylpentanoic acid
CID 106806458
6-[2-ethoxyethyl(ethyl)amino]-2-(ethylamino)-2-methylhexanoic acid
CID 63692483
2-(methoxymethyl)-2-methylpentanoic acid
CID 23056513
2-methyl-2-[[methyl(2-methylsulfonylethyl)amino]methyl]pentanoic acid
CID 79858388
2-(2-ethoxyethoxy)-2-propylpentanoic acid
CID 114993504
1-[bis(2-ethoxyethyl)amino]pentan-2-one
CID 82952185
2-[[ethyl(2-methoxyethyl)amino]methyl]-2-methylbutanoic acid
CID 62271797
2-methyl-2-[[methyl(3-methylbutan-2-yl)amino]methyl]pentanoic acid
CID 62270300
N,N-bis(2-ethoxyethyl)-2,2-dimethylpropanamide
CID 82952265

Frequently Asked Questions

What is the IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid?
The IUPAC name of 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid (CID 82952538) is 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid.
What is the SMILES notation for 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid?
The canonical SMILES for 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid is CCCC(C)(CN(CCOCC)CCOCC)C(=O)O.
What is the InChIKey of 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid?
The InChIKey is OVSDRYROKWIQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-5-8-15(4,14(17)18)13-16(9-11-19-6-2)10-12-20-7-3/h5-13H2,1-4H3,(H,17,18).
What are the key properties of 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid?
2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid has a molecular weight of 289.42 g/mol, XLogP of 2.25, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(2-ethoxyethyl)amino]methyl]-2-methylpentanoic acid is sourced from PubChem (CID 82952538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).