2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid

C8H18N2O3 — CID 146581912

IUPAC2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid
SMILESCN(CC(=O)O)OCCC(C)(C)N
InChIInChI=1S/C8H18N2O3/c1-8(2,9)4-5-13-10(3)6-7(11)12/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyYNCICKGHZCRZBU-UHFFFAOYSA-N
MW190.24 g/mol
LogP0.06
Rot. Bonds6

About 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid

2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid (PubChem CID 146581912) has the molecular formula C8H18N2O3 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid
PubChem CID146581912
Molecular FormulaC8H18N2O3
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid
SMILESCN(CC(=O)O)OCCC(C)(C)N
InChIInChI=1S/C8H18N2O3/c1-8(2,9)4-5-13-10(3)6-7(11)12/h4-6,9H2,1-3H3,(H,11,12)
InChIKeyYNCICKGHZCRZBU-UHFFFAOYSA-N
XLogP0.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid?
The IUPAC name of 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid (CID 146581912) is 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid.
What is the SMILES notation for 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid?
The canonical SMILES for 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid is CN(CC(=O)O)OCCC(C)(C)N.
What is the InChIKey of 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid?
The InChIKey is YNCICKGHZCRZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O3/c1-8(2,9)4-5-13-10(3)6-7(11)12/h4-6,9H2,1-3H3,(H,11,12).
What are the key properties of 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid?
2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid has a molecular weight of 190.24 g/mol, XLogP of 0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-amino-3-methylbutoxy)-methylamino]acetic acid is sourced from PubChem (CID 146581912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).