2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid

C8H17NO4 — CID 10198016

IUPAC2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CCO)CCO
InChIInChI=1S/C8H17NO4/c1-8(2,7(12)13)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAGQDCGFFNNKROQ-UHFFFAOYSA-N
MW191.23 g/mol
LogP-0.86
Rot. Bonds6

About 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid

2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid (PubChem CID 10198016) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid
PubChem CID10198016
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)N(CCO)CCO
InChIInChI=1S/C8H17NO4/c1-8(2,7(12)13)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3,(H,12,13)
InChIKeyAGQDCGFFNNKROQ-UHFFFAOYSA-N
XLogP-0.86
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic 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 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid (CID 10198016) is 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid is CC(C)(C(=O)O)N(CCO)CCO.
What is the InChIKey of 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid?
The InChIKey is AGQDCGFFNNKROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-8(2,7(12)13)9(3-5-10)4-6-11/h10-11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid?
2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid has a molecular weight of 191.23 g/mol, XLogP of -0.86, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-hydroxyethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 10198016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).