3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid

C10H20N2O3 — CID 104960300

IUPAC3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
SMILESCNC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)15-7)6-9(11-3)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeySQJGQWDQBXYVAQ-JVHMLUBASA-N
MW216.28 g/mol
LogP-0.23
Rot. Bonds4

About 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid

3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid (PubChem CID 104960300) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
PubChem CID104960300
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid
SMILESCNC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)15-7)6-9(11-3)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?
InChIKeySQJGQWDQBXYVAQ-JVHMLUBASA-N
XLogP-0.23
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic 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

3-(3,4-dimethoxypyrrolidin-1-yl)-2-(methylamino)propanoic acid
CID 103538160
2-chloro-3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 104961253
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methylpropanehydrazide
CID 104961276
4-(2,6-dimethylmorpholin-4-yl)-2-(propan-2-ylamino)butanoic acid
CID 63028379
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propan-1-ol
CID 104961377
3-(2,6-dimethylmorpholin-4-yl)-2-methyl-1-phenylpropan-1-one
CID 55094936
1,3-bis(2,6-dimethylmorpholin-4-yl)propan-2-ol
CID 70522448
2-amino-3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanamide
CID 104959272
2-(methylamino)-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanamide
CID 66370776
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(propan-2-ylamino)propanoic acid
CID 66370778
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
2-acetamido-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanoic acid
CID 66392329

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid (CID 104960300) is 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid is CNC(CN1C[C@@H](C)O[C@@H](C)C1)C(=O)O.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid?
The InChIKey is SQJGQWDQBXYVAQ-JVHMLUBASA-N. The full InChI is InChI=1S/C10H20N2O3/c1-7-4-12(5-8(2)15-7)6-9(11-3)10(13)14/h7-9,11H,4-6H2,1-3H3,(H,13,14)/t7-,8+,9?.
What are the key properties of 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid?
3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid has a molecular weight of 216.28 g/mol, XLogP of -0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-(methylamino)propanoic acid is sourced from PubChem (CID 104960300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).