2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid

C11H22N2O4 — CID 43442393

IUPAC2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
SMILESCC(C)OCCCNC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(2)17-6-4-5-12-10(14)7-13(3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyZJUJHZDQXMDUBT-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.07
Rot. Bonds9

About 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid

2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid (PubChem CID 43442393) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
PubChem CID43442393
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Name2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid
SMILESCC(C)OCCCNC(=O)CN(C)CC(=O)O
InChIInChI=1S/C11H22N2O4/c1-9(2)17-6-4-5-12-10(14)7-13(3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyZJUJHZDQXMDUBT-UHFFFAOYSA-N
XLogP-0.07
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.07
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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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid (CID 43442393) is 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid is CC(C)OCCCNC(=O)CN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid?
The InChIKey is ZJUJHZDQXMDUBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(2)17-6-4-5-12-10(14)7-13(3)8-11(15)16/h9H,4-8H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid?
2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid has a molecular weight of 246.31 g/mol, XLogP of -0.07, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]amino]acetic acid is sourced from PubChem (CID 43442393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).