3-hydroxy-4-morpholin-4-ylbutanoic acid

C8H15NO4 — CID 79006775

IUPAC3-hydroxy-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(O)CN1CCOCC1
InChIInChI=1S/C8H15NO4/c10-7(5-8(11)12)6-9-1-3-13-4-2-9/h7,10H,1-6H2,(H,11,12)
InChIKeySZRUQGAUMMGOQI-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.85
Rot. Bonds4

About 3-hydroxy-4-morpholin-4-ylbutanoic acid

3-hydroxy-4-morpholin-4-ylbutanoic acid (PubChem CID 79006775) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 3-hydroxy-4-morpholin-4-ylbutanoic acid.

Molecular Properties

Compound Name3-hydroxy-4-morpholin-4-ylbutanoic acid
PubChem CID79006775
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name3-hydroxy-4-morpholin-4-ylbutanoic acid
SMILESO=C(O)CC(O)CN1CCOCC1
InChIInChI=1S/C8H15NO4/c10-7(5-8(11)12)6-9-1-3-13-4-2-9/h7,10H,1-6H2,(H,11,12)
InChIKeySZRUQGAUMMGOQI-UHFFFAOYSA-N
XLogP-0.85
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-hydroxy-4-morpholin-4-ylbutanamide
CID 69066222
4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
2-(morpholin-4-ylmethyl)butanedioic acid
CID 45376163
(2S)-3-morpholin-4-ylpropane-1,2-diol
CID 1268043
1-chloro-3-morpholin-4-ylpropan-2-ol
CID 10080987
[(2S)-2-hydroxy-3-morpholin-4-ylpropyl] acetate
CID 71177850
2-amino-3-morpholin-4-ylpropanoic acid
CID 10634204
1-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)butan-2-ol
CID 129310449
3-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanoic acid
CID 82770780
6-borono-3-(morpholin-4-ylmethyl)hexanoic acid
CID 155589053
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
2-methyl-3-morpholin-4-ylpropanoic acid;hydrochloride
CID 6603192

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-morpholin-4-ylbutanoic acid?
The IUPAC name of 3-hydroxy-4-morpholin-4-ylbutanoic acid (CID 79006775) is 3-hydroxy-4-morpholin-4-ylbutanoic acid.
What is the SMILES notation for 3-hydroxy-4-morpholin-4-ylbutanoic acid?
The canonical SMILES for 3-hydroxy-4-morpholin-4-ylbutanoic acid is O=C(O)CC(O)CN1CCOCC1.
What is the InChIKey of 3-hydroxy-4-morpholin-4-ylbutanoic acid?
The InChIKey is SZRUQGAUMMGOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-7(5-8(11)12)6-9-1-3-13-4-2-9/h7,10H,1-6H2,(H,11,12).
What are the key properties of 3-hydroxy-4-morpholin-4-ylbutanoic acid?
3-hydroxy-4-morpholin-4-ylbutanoic acid has a molecular weight of 189.21 g/mol, XLogP of -0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-morpholin-4-ylbutanoic acid is sourced from PubChem (CID 79006775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).