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

C10H18N2O5 — CID 104959540

IUPAC(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESC[C@@H]1CN(C(=O)N[C@@H](CO)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H18N2O5/c1-6-3-12(4-7(2)17-6)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7+,8-/m0/s1
InChIKeyOOFWSMQAZGQKNK-RNJXMRFFSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds3

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

(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid (PubChem CID 104959540) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
PubChem CID104959540
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid
SMILESC[C@@H]1CN(C(=O)N[C@@H](CO)C(=O)O)C[C@H](C)O1
InChIInChI=1S/C10H18N2O5/c1-6-3-12(4-7(2)17-6)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7+,8-/m0/s1
InChIKeyOOFWSMQAZGQKNK-RNJXMRFFSA-N
XLogP-0.75
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid with MolForge

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Related Compounds

(2S)-5-amino-2-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-5-oxopentanoic acid
CID 104959619
(2R)-3-hydroxy-2-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]propanoic acid
CID 80756754
(2S)-4-hydroxy-2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]butanoic acid
CID 114005918
(2S)-2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-3-hydroxypropanoic acid
CID 115560817
(2R)-3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 80750387
3-hydroxy-2-[(4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 61188214
(2S)-2-[(2,6-dimethylmorpholine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 61187607
3-[[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 104959652
(2R)-3-hydroxy-2-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 102961873
2-[[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]amino]pentanoic acid
CID 43631730
2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-(3-hydroxyphenyl)propanoic acid
CID 166279336
(2R)-2-[[3-(dimethylamino)pyrrolidine-1-carbonyl]amino]-3-hydroxypropanoic acid
CID 80757373

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid (CID 104959540) is (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid is C[C@@H]1CN(C(=O)N[C@@H](CO)C(=O)O)C[C@H](C)O1.
What is the InChIKey of (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid?
The InChIKey is OOFWSMQAZGQKNK-RNJXMRFFSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-6-3-12(4-7(2)17-6)10(16)11-8(5-13)9(14)15/h6-8,13H,3-5H2,1-2H3,(H,11,16)(H,14,15)/t6-,7+,8-/m0/s1.
What are the key properties of (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid?
(2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 104959540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).