3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid

C11H20N2O5 — CID 114777782

IUPAC3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCCC(=O)O)CC(CO)O1
InChIInChI=1S/C11H20N2O5/c1-11(2)7-13(5-8(6-14)18-11)10(17)12-4-3-9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFFQSJUHUZUCBMD-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.36
Rot. Bonds4

About 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid

3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid (PubChem CID 114777782) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
PubChem CID114777782
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Name3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid
SMILESCC1(C)CN(C(=O)NCCC(=O)O)CC(CO)O1
InChIInChI=1S/C11H20N2O5/c1-11(2)7-13(5-8(6-14)18-11)10(17)12-4-3-9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16)
InChIKeyFFQSJUHUZUCBMD-UHFFFAOYSA-N
XLogP-0.36
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]-2-methylbutanoic acid
CID 114777599
1-[[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 114777601
(2S)-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanedioic acid
CID 104969899
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]-propan-2-ylamino]propanoic acid
CID 114777725
3-[(3,3,5,5-tetramethylpiperidine-1-carbonyl)amino]propanoic acid
CID 122017870
(2R)-4-hydroxy-2-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]butanoic acid
CID 107829358
N-(cyanomethyl)-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 114776829
1-[(6R)-6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]prop-2-en-1-one
CID 166408409
3-[(3-methoxy-3-methylazetidine-1-carbonyl)amino]propanoic acid
CID 122017931
N-(3-chloro-4-methylphenyl)-6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779044
6-(hydroxymethyl)-N-(4-methoxyphenyl)-2,2-dimethylmorpholine-4-carboxamide
CID 114779052
[1-(aminomethyl)cyclopentyl]-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114776550

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid (CID 114777782) is 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid is CC1(C)CN(C(=O)NCCC(=O)O)CC(CO)O1.
What is the InChIKey of 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid?
The InChIKey is FFQSJUHUZUCBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-11(2)7-13(5-8(6-14)18-11)10(17)12-4-3-9(15)16/h8,14H,3-7H2,1-2H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid?
3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid has a molecular weight of 260.29 g/mol, XLogP of -0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(hydroxymethyl)-2,2-dimethylmorpholine-4-carbonyl]amino]propanoic acid is sourced from PubChem (CID 114777782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).