2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid

C13H25NO4 — CID 79484032

IUPAC2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)N(CC(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C13H25NO4/c1-5-11(6-2)14(7-10(3)4)12(15)8-18-9-13(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyKZNPORWFHLHFCX-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.76
Rot. Bonds9

About 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid

2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid (PubChem CID 79484032) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
PubChem CID79484032
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
SMILESCCC(CC)N(CC(C)C)C(=O)COCC(=O)O
InChIInChI=1S/C13H25NO4/c1-5-11(6-2)14(7-10(3)4)12(15)8-18-9-13(16)17/h10-11H,5-9H2,1-4H3,(H,16,17)
InChIKeyKZNPORWFHLHFCX-UHFFFAOYSA-N
XLogP1.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid (CID 79484032) is 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid is CCC(CC)N(CC(C)C)C(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
The InChIKey is KZNPORWFHLHFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-5-11(6-2)14(7-10(3)4)12(15)8-18-9-13(16)17/h10-11H,5-9H2,1-4H3,(H,16,17).
What are the key properties of 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid?
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid has a molecular weight of 259.35 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 79484032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).