3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid

C11H20N2O4 — CID 104959652

IUPAC3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)4-12-11(16)13-5-8(2)17-9(3)6-13/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9+
InChIKeyTVUUDOOAODELCM-CBLAIPOGSA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds3

About 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid

3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid (PubChem CID 104959652) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
PubChem CID104959652
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
SMILESCC(CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-7(10(14)15)4-12-11(16)13-5-8(2)17-9(3)6-13/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9+
InChIKeyTVUUDOOAODELCM-CBLAIPOGSA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3,4,5-trimethylpiperazine-1-carbonyl)amino]propanoic acid
CID 114538694
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-2-methylpropanoic acid
CID 115560898
2,6-dimethyl-N-(3-methyl-2-phenylbutyl)morpholine-4-carboxamide
CID 86984625
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
CID 104959540
(2S)-2-hydroxy-3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]propanoic acid
CID 114007789
2-[[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]methyl]butanoic acid
CID 102933894
3-(azocane-1-carbonylamino)-2-methylpropanoic acid
CID 62669756
3-(azepane-1-carbonylamino)-2-methylpropanoic acid
CID 62671321
2-methyl-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]propanoic acid
CID 103500221
3-[(4-hydroxypiperidine-1-carbonyl)amino]-2-methylpropanoic acid
CID 62670284
4-[(2,6-dimethylmorpholine-4-carbonyl)amino]butanoic acid
CID 61187052
(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The IUPAC name of 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid (CID 104959652) is 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid is CC(CNC(=O)N1C[C@@H](C)O[C@@H](C)C1)C(=O)O.
What is the InChIKey of 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid?
The InChIKey is TVUUDOOAODELCM-CBLAIPOGSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-7(10(14)15)4-12-11(16)13-5-8(2)17-9(3)6-13/h7-9H,4-6H2,1-3H3,(H,12,16)(H,14,15)/t7?,8-,9+.
What are the key properties of 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid?
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 104959652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).