2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid

C11H21NO4 — CID 123685447

IUPAC2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid
SMILESCOCNC(C(=O)O)C1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO4/c1-7-4-9(5-8(2)16-7)10(11(13)14)12-6-15-3/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRFNZUXXXROMIPN-UHFFFAOYSA-N
MW231.29 g/mol
LogP0.84
Rot. Bonds5

About 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid

2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid (PubChem CID 123685447) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid.

Molecular Properties

Compound Name2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid
PubChem CID123685447
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid
SMILESCOCNC(C(=O)O)C1CC(C)OC(C)C1
InChIInChI=1S/C11H21NO4/c1-7-4-9(5-8(2)16-7)10(11(13)14)12-6-15-3/h7-10,12H,4-6H2,1-3H3,(H,13,14)
InChIKeyRFNZUXXXROMIPN-UHFFFAOYSA-N
XLogP0.84
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid 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-{[(Tert-butoxy)carbonyl]amino}-3-(oxan-3-yl)propanoic acid
CID 64142408
(2S,4S,5S)-5-Hydroxy-4-methylpiperidine-2-carboxylic acid
CID 45082299
(2S)-2-(methoxycarbonylamino)-2-[(7S)-4-oxaspiro[2.5]octan-7-yl]acetic acid
CID 71003812
Dimethyl 4-(hydroxymethyl)piperidine-2,6-dicarboxylate
CID 91293083
Dimethyl cis-4-hydroxymethylpiperidine-2,6-dicarboxylate
CID 91294991
tert-butyl (2R,4S)-4-(hydroxymethyl)piperidine-2-carboxylate
CID 135057141
5-Hydroxy-4-methylpiperidine-2-carboxylic acid
CID 11997715
4-(Propoxymethyl)piperidine-2-carboxylic acid
CID 18446281
Ethyl 4-(hydroxymethyl)-piperidine-2-carboxylate
CID 19757810
Tert-butyl 4-(hydroxymethyl)piperidine-2-carboxylate
CID 53410986
(2S,5S)-tert-butyl 5-hydroxypiperidine-2-carboxylate
CID 57389513
[(2R,6S)-2,6-Dimethyloxan-4-yl][(methoxycarbonyl)amino]acetic acid
CID 58498670

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid?
The IUPAC name of 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid (CID 123685447) is 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid.
What is the SMILES notation for 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid?
The canonical SMILES for 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid is COCNC(C(=O)O)C1CC(C)OC(C)C1.
What is the InChIKey of 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid?
The InChIKey is RFNZUXXXROMIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-7-4-9(5-8(2)16-7)10(11(13)14)12-6-15-3/h7-10,12H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid?
2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid has a molecular weight of 231.29 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethyloxan-4-yl)-2-(methoxymethylamino)acetic acid is sourced from PubChem (CID 123685447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).