2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid

C11H21NO5 — CID 106003646

IUPAC2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
SMILESCC(C)OCCCCNC(=O)COCC(=O)O
InChIInChI=1S/C11H21NO5/c1-9(2)17-6-4-3-5-12-10(13)7-16-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPLPQSVYWKCUBIU-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.41
Rot. Bonds10

About 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid

2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid (PubChem CID 106003646) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
PubChem CID106003646
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid
SMILESCC(C)OCCCCNC(=O)COCC(=O)O
InChIInChI=1S/C11H21NO5/c1-9(2)17-6-4-3-5-12-10(13)7-16-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyPLPQSVYWKCUBIU-UHFFFAOYSA-N
XLogP0.41
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782
2-ethoxy-N-(3-propan-2-yloxypropyl)acetamide
CID 60638133
2-(2-methoxyethoxy)-N-(3-propan-2-yloxypropyl)acetamide
CID 103606873
2-chloro-N-(4-propan-2-yloxybutyl)acetamide
CID 82109645
6-propan-2-yloxyhexylcarbamic acid
CID 126658630
5-(4-propan-2-yloxybutanoylamino)pentanoic acid
CID 120687441
2-hydroxy-N-(8-propan-2-yloxyoctyl)acetamide;vanadium
CID 154671854
N-[5-[2-(5-acetamidopentoxy)ethoxy]pentyl]-2-propan-2-yloxyacetamide
CID 142616275
2-(2-methoxyethoxy)-N-(2-propan-2-yloxyethyl)acetamide
CID 104578556
2-[2-[3-(ethylamino)propylamino]-2-oxoethoxy]acetic acid
CID 61403571
2,3-dimethyl-4-oxo-4-(4-propan-2-yloxybutylamino)butanoic acid
CID 106003621
N-[2-oxo-2-(4-propan-2-yloxybutylamino)ethyl]-6-propan-2-yloxyhexanamide
CID 166698453

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid?
The IUPAC name of 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid (CID 106003646) is 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid.
What is the SMILES notation for 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid?
The canonical SMILES for 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid is CC(C)OCCCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid?
The InChIKey is PLPQSVYWKCUBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO5/c1-9(2)17-6-4-3-5-12-10(13)7-16-8-11(14)15/h9H,3-8H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid?
2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid has a molecular weight of 247.29 g/mol, XLogP of 0.41, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(4-propan-2-yloxybutylamino)ethoxy]acetic acid is sourced from PubChem (CID 106003646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).