2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid

C11H22N2O4 — CID 79457124

IUPAC2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-5-6-17-7-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyMUXCMTNHJMYCKD-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.03
Rot. Bonds7

About 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid

2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid (PubChem CID 79457124) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid
PubChem CID79457124
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid
SMILESCC(C)(N)C(C)(C)C(=O)NCCOCC(=O)O
InChIInChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-5-6-17-7-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyMUXCMTNHJMYCKD-UHFFFAOYSA-N
XLogP-0.03
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
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 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid?
The IUPAC name of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid (CID 79457124) is 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid.
What is the SMILES notation for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid?
The canonical SMILES for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid is CC(C)(N)C(C)(C)C(=O)NCCOCC(=O)O.
What is the InChIKey of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid?
The InChIKey is MUXCMTNHJMYCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-10(2,11(3,4)12)9(16)13-5-6-17-7-8(14)15/h5-7,12H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid?
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.03, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]ethoxy]acetic acid is sourced from PubChem (CID 79457124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).