3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid

C13H27NO4 — CID 82951535

IUPAC3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
SMILESCCOCCN(CCOCC)CC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO4/c1-5-17-9-7-14(8-10-18-6-2)11-13(3,4)12(15)16/h5-11H2,1-4H3,(H,15,16)
InChIKeyNAGNUFQFTSAPLA-UHFFFAOYSA-N
MW261.36 g/mol
LogP1.47
Rot. Bonds11

About 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid

3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid (PubChem CID 82951535) has the molecular formula C13H27NO4 and a molecular weight of 261.36 g/mol. Its IUPAC name is 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
PubChem CID82951535
Molecular FormulaC13H27NO4
Molecular Weight261.36 g/mol
Exact Mass261.19
IUPAC Name3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid
SMILESCCOCCN(CCOCC)CC(C)(C)C(=O)O
InChIInChI=1S/C13H27NO4/c1-5-17-9-7-14(8-10-18-6-2)11-13(3,4)12(15)16/h5-11H2,1-4H3,(H,15,16)
InChIKeyNAGNUFQFTSAPLA-UHFFFAOYSA-N
XLogP1.47
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid (CID 82951535) is 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid is CCOCCN(CCOCC)CC(C)(C)C(=O)O.
What is the InChIKey of 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid?
The InChIKey is NAGNUFQFTSAPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4/c1-5-17-9-7-14(8-10-18-6-2)11-13(3,4)12(15)16/h5-11H2,1-4H3,(H,15,16).
What are the key properties of 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid?
3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid has a molecular weight of 261.36 g/mol, XLogP of 1.47, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-ethoxyethyl)amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 82951535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).