methyl 2-(dimethylamino)-2-hydroxyacetate

C5H11NO3 — CID 139781489

IUPACmethyl 2-(dimethylamino)-2-hydroxyacetate
SMILESCOC(=O)C(O)N(C)C
InChIInChI=1S/C5H11NO3/c1-6(2)4(7)5(8)9-3/h4,7H,1-3H3
InChIKeyPUACGHCETMSGHG-UHFFFAOYSA-N
MW133.15 g/mol
LogP-0.96
Rot. Bonds2

About methyl 2-(dimethylamino)-2-hydroxyacetate

methyl 2-(dimethylamino)-2-hydroxyacetate (PubChem CID 139781489) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-2-hydroxyacetate
PubChem CID139781489
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Namemethyl 2-(dimethylamino)-2-hydroxyacetate
SMILESCOC(=O)C(O)N(C)C
InChIInChI=1S/C5H11NO3/c1-6(2)4(7)5(8)9-3/h4,7H,1-3H3
InChIKeyPUACGHCETMSGHG-UHFFFAOYSA-N
XLogP-0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl 2-(dimethylamino)-2-hydroxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(Dimethylamino)ethoxy]acetic acid
CID 13211396
Hydroxy-methyl methylglycine
CID 15678438
Hydroxybetaine
CID 10197714
N-ethyl-N-(2-hydroxyethyl)glycine methyl ester
CID 60685796
Hydroxyacetyl choline bromide
CID 129729636
2-Acetoxy-1-dimethylaminoethanol
CID 3016978
N,N-Dimethyl(2-hydroxyethyl)ammonium 2-hydroxyacetate
CID 9942238
[Carboxy(hydroxy)methyl]-trimethylazanium
CID 10197715
2-(Dimethylamino)ethanol;oxalic acid
CID 11693995
Methyl 2-[2-hydroxyethyl(methyl)amino]acetate
CID 14272160
2-(Carboxymethoxy)ethyl-trimethylazanium
CID 15768553
2-[2-(Dimethylamino)ethoxy]-2-oxoacetic acid
CID 17817475

Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-2-hydroxyacetate?
The IUPAC name of methyl 2-(dimethylamino)-2-hydroxyacetate (CID 139781489) is methyl 2-(dimethylamino)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(dimethylamino)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(dimethylamino)-2-hydroxyacetate is COC(=O)C(O)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-2-hydroxyacetate?
The InChIKey is PUACGHCETMSGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-6(2)4(7)5(8)9-3/h4,7H,1-3H3.
What are the key properties of methyl 2-(dimethylamino)-2-hydroxyacetate?
methyl 2-(dimethylamino)-2-hydroxyacetate has a molecular weight of 133.15 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-2-hydroxyacetate is sourced from PubChem (CID 139781489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).