methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate

C11H21NO6 — CID 160985152

IUPACmethyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate
SMILESCNCC(C)(O)C(=O)OC.COC(=O)C1(C)CO1
InChIInChI=1S/C6H13NO3.C5H8O3/c1-6(9,4-7-2)5(8)10-3;1-5(3-8-5)4(6)7-2/h7,9H,4H2,1-3H3;3H2,1-2H3
InChIKeyTTWGOWDPSQEVHV-UHFFFAOYSA-N
MW263.29 g/mol
LogP-0.92
Rot. Bonds4

About methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate

methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate (PubChem CID 160985152) has the molecular formula C11H21NO6 and a molecular weight of 263.29 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate
PubChem CID160985152
Molecular FormulaC11H21NO6
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate
SMILESCNCC(C)(O)C(=O)OC.COC(=O)C1(C)CO1
InChIInChI=1S/C6H13NO3.C5H8O3/c1-6(9,4-7-2)5(8)10-3;1-5(3-8-5)4(6)7-2/h7,9H,4H2,1-3H3;3H2,1-2H3
InChIKeyTTWGOWDPSQEVHV-UHFFFAOYSA-N
XLogP-0.92
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate 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

methyl (2S)-2-methyloxirane-2-carboxylate
CID 5324667
methyl 2,2,4-trimethyl-1,3-dioxolane-4-carboxylate
CID 14595896
methyl (2R,5R,6R)-2-(2-hydroxypropan-2-yl)-5,6-dimethoxy-5,6-dimethyl-1,4-dioxane-2-carboxylate
CID 11437784
methyl 2-hydroxy-2-methyl-3-(oxan-4-ylmethylamino)propanoate
CID 104644498
methyl 2-methyl-5-oxo-1,4-dioxane-2-carboxylate
CID 122498790
methyl 3-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-hydroxy-2-methylpropanoate
CID 104644477
methyl (2R)-2-hydroxy-2,4-dimethylpent-4-enoate
CID 177459187
methyl 2-butyloxirane-2-carboxylate
CID 18471262
methyl 2-hydroxy-2-methyl-3-(4-methylpentylamino)propanoate
CID 104644089
methyl 3-hydroxy-2-methyl-2-(methylamino)propanoate
CID 126976728
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639
N,2-dimethyloxirane-2-carboxamide
CID 171036085

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate (CID 160985152) is methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate is CNCC(C)(O)C(=O)OC.COC(=O)C1(C)CO1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate?
The InChIKey is TTWGOWDPSQEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3.C5H8O3/c1-6(9,4-7-2)5(8)10-3;1-5(3-8-5)4(6)7-2/h7,9H,4H2,1-3H3;3H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate?
methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate has a molecular weight of 263.29 g/mol, XLogP of -0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(methylamino)propanoate;methyl 2-methyloxirane-2-carboxylate is sourced from PubChem (CID 160985152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).