methyl 2-(diethylamino)-2-hydroxyacetate

C7H15NO3 — CID 139781490

IUPACmethyl 2-(diethylamino)-2-hydroxyacetate
SMILESCCN(CC)C(O)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-8(5-2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyMAEWPDAERKCVQA-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.18
Rot. Bonds4

About methyl 2-(diethylamino)-2-hydroxyacetate

methyl 2-(diethylamino)-2-hydroxyacetate (PubChem CID 139781490) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-(diethylamino)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(diethylamino)-2-hydroxyacetate
PubChem CID139781490
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-(diethylamino)-2-hydroxyacetate
SMILESCCN(CC)C(O)C(=O)OC
InChIInChI=1S/C7H15NO3/c1-4-8(5-2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3
InChIKeyMAEWPDAERKCVQA-UHFFFAOYSA-N
XLogP-0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[2-(Dimethylamino)ethoxy]acetic acid
CID 13211396
Hydroxy-methyl methylglycine
CID 15678438
Hydroxybetaine
CID 10197714
2,2'-((2-(2-Hydroxyethoxy)ethyl)azanediyl)diacetic acid
CID 11063985
N-ethyl-N-(2-hydroxyethyl)glycine methyl ester
CID 60685796
Hydroxyacetyl choline bromide
CID 129729636
2-Acetoxy-1-dimethylaminoethanol
CID 3016978
2-[2-(Carboxymethoxy)ethyl-(carboxymethyl)amino]acetic acid
CID 9881152
[Carboxy(hydroxy)methyl]-trimethylazanium
CID 10197715
2-Hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
Methyl 2-[2-hydroxyethyl(methyl)amino]acetate
CID 14272160
2-[2-Hydroxyethyl(2-methoxyethyl)amino]acetic acid
CID 20696605

Frequently Asked Questions

What is the IUPAC name of methyl 2-(diethylamino)-2-hydroxyacetate?
The IUPAC name of methyl 2-(diethylamino)-2-hydroxyacetate (CID 139781490) is methyl 2-(diethylamino)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(diethylamino)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(diethylamino)-2-hydroxyacetate is CCN(CC)C(O)C(=O)OC.
What is the InChIKey of methyl 2-(diethylamino)-2-hydroxyacetate?
The InChIKey is MAEWPDAERKCVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-8(5-2)6(9)7(10)11-3/h6,9H,4-5H2,1-3H3.
What are the key properties of methyl 2-(diethylamino)-2-hydroxyacetate?
methyl 2-(diethylamino)-2-hydroxyacetate has a molecular weight of 161.20 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(diethylamino)-2-hydroxyacetate is sourced from PubChem (CID 139781490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).