3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid

C10H18N2O5 — CID 81204807

IUPAC3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
SMILESCC1COC(CO)CN1C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-7-6-17-8(5-13)4-12(7)10(16)11-3-2-9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyOUYPBSVUPMTRIJ-UHFFFAOYSA-N
MW246.26 g/mol
LogP-0.75
Rot. Bonds4

About 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid

3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid (PubChem CID 81204807) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
PubChem CID81204807
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid
SMILESCC1COC(CO)CN1C(=O)NCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-7-6-17-8(5-13)4-12(7)10(16)11-3-2-9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15)
InChIKeyOUYPBSVUPMTRIJ-UHFFFAOYSA-N
XLogP-0.75
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

6-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-4-methylhexanoic acid
CID 81196870
5-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-2-methylpentanoic acid
CID 104686845
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
2-[1-[[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]methyl]cyclobutyl]acetic acid
CID 81196724
2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
(2R)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 81205269
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
4-hydroxy-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]butan-1-one
CID 81218189
methyl 2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetate
CID 112617487
1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-(methylamino)ethanone
CID 81202762
(2S,3S)-2-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]-3-methylpentanoic acid
CID 81204288
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid (CID 81204807) is 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid is CC1COC(CO)CN1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is OUYPBSVUPMTRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-7-6-17-8(5-13)4-12(7)10(16)11-3-2-9(14)15/h7-8,13H,2-6H2,1H3,(H,11,16)(H,14,15).
What are the key properties of 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid?
3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 246.26 g/mol, XLogP of -0.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 81204807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).