3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid

C10H21NO4 — CID 61418249

IUPAC3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CCOC)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-9(10(12)13)8-11(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyUHTIIJRVQOVYBA-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.30
Rot. Bonds9

About 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid

3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid (PubChem CID 61418249) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
PubChem CID61418249
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid
SMILESCOCCN(CCOC)CC(C)C(=O)O
InChIInChI=1S/C10H21NO4/c1-9(10(12)13)8-11(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyUHTIIJRVQOVYBA-UHFFFAOYSA-N
XLogP0.30
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-methoxyethyl(2-oxopropyl)amino]-2-methylpropanoic acid
CID 82329181
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
3-[carboxymethyl(3-methoxypropyl)amino]-2-methylpropanoic acid
CID 82327474
3-[ethyl(4-methoxybutyl)amino]-2-methylpropanoic acid
CID 104648447
3-[2-methoxyethyl(phenacyl)amino]-2-methylpropanoic acid
CID 82329885
methyl 3-[2-methoxyethyl(3-methoxypropyl)amino]-2-methylpropanoate
CID 54989932
3-[3-methoxypropyl(prop-2-ynyl)amino]-2-methylpropanoic acid
CID 82330702
2-amino-4-[2-methoxyethyl(2-methylpropyl)amino]butanoic acid
CID 63055687
1-[bis(2-methoxyethyl)amino]propan-2-ol
CID 59693413
azane;4-methoxy-2-methylbutanoic acid
CID 174560200
2-acetamido-3-[2-methoxyethyl(3-methoxypropyl)amino]propanoic acid
CID 64582514
3-[ethyl-[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpropanoic acid
CID 62852306

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid (CID 61418249) is 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid is COCCN(CCOC)CC(C)C(=O)O.
What is the InChIKey of 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid?
The InChIKey is UHTIIJRVQOVYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-9(10(12)13)8-11(4-6-14-2)5-7-15-3/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid?
3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid has a molecular weight of 219.28 g/mol, XLogP of 0.30, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-methoxyethyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 61418249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).