3-hydroxymorpholine-4-carboxylic acid

C5H9NO4 — CID 66845221

IUPAC3-hydroxymorpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1O
InChIInChI=1S/C5H9NO4/c7-4-3-10-2-1-6(4)5(8)9/h4,7H,1-3H2,(H,8,9)
InChIKeyYLSLRBLQLPMREI-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.69
Rot. Bonds

About 3-hydroxymorpholine-4-carboxylic acid

3-hydroxymorpholine-4-carboxylic acid (PubChem CID 66845221) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-hydroxymorpholine-4-carboxylic acid.

Molecular Properties

Compound Name3-hydroxymorpholine-4-carboxylic acid
PubChem CID66845221
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3-hydroxymorpholine-4-carboxylic acid
SMILESO=C(O)N1CCOCC1O
InChIInChI=1S/C5H9NO4/c7-4-3-10-2-1-6(4)5(8)9/h4,7H,1-3H2,(H,8,9)
InChIKeyYLSLRBLQLPMREI-UHFFFAOYSA-N
XLogP-0.69
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxyiminomethyl)morpholine-4-carboxylic acid
CID 143095283
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
(3S)-3-(methylsulfonyloxymethyl)morpholine-4-carboxylic acid
CID 170344357
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
(3S)-4-[2-(cyclopropylmethoxy)acetyl]morpholine-3-carboxylic acid
CID 125151644
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
1-(3-iodomorpholin-4-yl)ethanone
CID 140998826
4-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]morpholine-3-carboxylic acid
CID 79615257
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
CID 71757652
2-(hydroxymethyl)-1-(3-methylmorpholin-4-yl)prop-2-en-1-one
CID 131132260
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927

Frequently Asked Questions

What is the IUPAC name of 3-hydroxymorpholine-4-carboxylic acid?
The IUPAC name of 3-hydroxymorpholine-4-carboxylic acid (CID 66845221) is 3-hydroxymorpholine-4-carboxylic acid.
What is the SMILES notation for 3-hydroxymorpholine-4-carboxylic acid?
The canonical SMILES for 3-hydroxymorpholine-4-carboxylic acid is O=C(O)N1CCOCC1O.
What is the InChIKey of 3-hydroxymorpholine-4-carboxylic acid?
The InChIKey is YLSLRBLQLPMREI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c7-4-3-10-2-1-6(4)5(8)9/h4,7H,1-3H2,(H,8,9).
What are the key properties of 3-hydroxymorpholine-4-carboxylic acid?
3-hydroxymorpholine-4-carboxylic acid has a molecular weight of 147.13 g/mol, XLogP of -0.69, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxymorpholine-4-carboxylic acid is sourced from PubChem (CID 66845221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).