2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid

C10H21NO3 — CID 61484389

IUPAC2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
SMILESCC(C)CCOCCN(C)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2)4-6-14-7-5-11(3)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyPQCXZBFUMGUSIH-UHFFFAOYSA-N
MW203.28 g/mol
LogP1.07
Rot. Bonds8

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

2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid (PubChem CID 61484389) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
PubChem CID61484389
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid
SMILESCC(C)CCOCCN(C)CC(=O)O
InChIInChI=1S/C10H21NO3/c1-9(2)4-6-14-7-5-11(3)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13)
InChIKeyPQCXZBFUMGUSIH-UHFFFAOYSA-N
XLogP1.07
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
2-[2-(3-methoxypropoxy)ethyl-methylamino]acetic acid
CID 103181230
methyl 2-methyl-3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 61066835
ethane;2-[methyl(2-propan-2-yloxyethyl)amino]acetic acid
CID 156795596
2-[3,7-dimethyloctyl(methyl)amino]acetic acid
CID 169208781
2-[2-(3-methylbutoxy)ethoxy]acetic acid
CID 112692943
3-[methyl-[2-(3-methylbutoxy)ethyl]amino]propanethioamide
CID 61484284
5-[methyl-[2-(3-methylbutoxy)ethyl]amino]pentan-1-ol
CID 107204197
3-methyl-1-[methyl-[2-[2-[methyl(propan-2-yl)amino]ethoxy]ethyl]amino]butan-2-one
CID 176581358
2-[2-amino-N-[2-(3-methylbutoxy)ethyl]anilino]acetic acid
CID 63118737
3-[2-[2-(2-carboxyethoxy)ethyl-methylamino]ethoxy]propanoic acid
CID 170368150
2-[2-(3-methylbutoxy)ethylcarbamoyl-(2-methylpropyl)amino]acetic acid
CID 63066342

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid (CID 61484389) is 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid is CC(C)CCOCCN(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid?
The InChIKey is PQCXZBFUMGUSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-9(2)4-6-14-7-5-11(3)8-10(12)13/h9H,4-8H2,1-3H3,(H,12,13).
What are the key properties of 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid?
2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid has a molecular weight of 203.28 g/mol, XLogP of 1.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(3-methylbutoxy)ethyl]amino]acetic acid is sourced from PubChem (CID 61484389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).