3-hydroxy-2-morpholin-2-ylpropanoic acid

C7H13NO4 — CID 174661676

IUPAC3-hydroxy-2-morpholin-2-ylpropanoic acid
SMILESO=C(O)C(CO)C1CNCCO1
InChIInChI=1S/C7H13NO4/c9-4-5(7(10)11)6-3-8-1-2-12-6/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeySODGCTUAZUSUTL-UHFFFAOYSA-N
MW175.18 g/mol
LogP-1.33
Rot. Bonds3

About 3-hydroxy-2-morpholin-2-ylpropanoic acid

3-hydroxy-2-morpholin-2-ylpropanoic acid (PubChem CID 174661676) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 3-hydroxy-2-morpholin-2-ylpropanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-morpholin-2-ylpropanoic acid
PubChem CID174661676
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name3-hydroxy-2-morpholin-2-ylpropanoic acid
SMILESO=C(O)C(CO)C1CNCCO1
InChIInChI=1S/C7H13NO4/c9-4-5(7(10)11)6-3-8-1-2-12-6/h5-6,8-9H,1-4H2,(H,10,11)
InChIKeySODGCTUAZUSUTL-UHFFFAOYSA-N
XLogP-1.33
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-2-morpholin-2-ylpropanoic acid
CID 67442590
2-morpholin-2-ylbutanamide
CID 174480619
but-2-enedioic acid;2-[morpholin-2-yl(phenyl)methoxy]ethanol
CID 67597316
2-[morpholin-2-yl(phenyl)methoxy]ethanol;oxalic acid
CID 67598260
(2R)-2-(difluoromethyl)morpholine
CID 97296988
N-(1-morpholin-2-ylpropyl)acetamide
CID 121284793
(R)-morpholin-2-yl(phenyl)methanol
CID 69108289
(2S)-2-(difluoromethyl)morpholine;hydrochloride
CID 140765944
1-morpholin-2-ylpropane-1,2-diol;hydrochloride
CID 174973290
(2R)-2-[(2S)-butan-2-yl]morpholine
CID 57122298
ethyl 2-(methylamino)-2-morpholin-2-ylacetate
CID 57144411
(2R)-2-[(2-morpholin-2-ylacetyl)amino]propanoic acid
CID 79036623

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-morpholin-2-ylpropanoic acid?
The IUPAC name of 3-hydroxy-2-morpholin-2-ylpropanoic acid (CID 174661676) is 3-hydroxy-2-morpholin-2-ylpropanoic acid.
What is the SMILES notation for 3-hydroxy-2-morpholin-2-ylpropanoic acid?
The canonical SMILES for 3-hydroxy-2-morpholin-2-ylpropanoic acid is O=C(O)C(CO)C1CNCCO1.
What is the InChIKey of 3-hydroxy-2-morpholin-2-ylpropanoic acid?
The InChIKey is SODGCTUAZUSUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c9-4-5(7(10)11)6-3-8-1-2-12-6/h5-6,8-9H,1-4H2,(H,10,11).
What are the key properties of 3-hydroxy-2-morpholin-2-ylpropanoic acid?
3-hydroxy-2-morpholin-2-ylpropanoic acid has a molecular weight of 175.18 g/mol, XLogP of -1.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-morpholin-2-ylpropanoic acid is sourced from PubChem (CID 174661676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).