2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid

C7H11NO5 — CID 140976949

IUPAC2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
SMILESO=C(O)C(O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO5/c9-5(7(11)12)6(10)8-1-3-13-4-2-8/h5,9H,1-4H2,(H,11,12)
InChIKeyVPPRTJZDMXIXFE-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.71
Rot. Bonds2

About 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid

2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid (PubChem CID 140976949) has the molecular formula C7H11NO5 and a molecular weight of 189.17 g/mol. Its IUPAC name is 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
PubChem CID140976949
Molecular FormulaC7H11NO5
Molecular Weight189.17 g/mol
Exact Mass189.06
IUPAC Name2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid
SMILESO=C(O)C(O)C(=O)N1CCOCC1
InChIInChI=1S/C7H11NO5/c9-5(7(11)12)6(10)8-1-3-13-4-2-8/h5,9H,1-4H2,(H,11,12)
InChIKeyVPPRTJZDMXIXFE-UHFFFAOYSA-N
XLogP-1.71
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3-dimethyl-4-morpholin-4-yl-4-oxobutanoic acid
CID 21025679
2,4-dimethyl-5-oxo-5-(1,4,7-trioxa-10-azacyclododec-10-yl)pentanoic acid
CID 3095235
(2S)-2-hydroxy-3-methyl-1-morpholin-4-ylbutan-1-one
CID 69460030
2,3-dihydroxy-4-morpholin-4-yl-4-oxobutanamide
CID 68766850
(2R)-2-hydroxy-1-morpholin-4-ylbutan-1-one
CID 69457105
2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfonylpropanoic acid
CID 43117070
(2-hydroxy-3-morpholin-4-yl-3-oxopropyl)carbamic acid
CID 68502094
(2S)-2-chloro-1-morpholin-4-ylpropan-1-one
CID 2434799
3-morpholin-4-yl-3-oxo-2-phenylpropanoic acid
CID 102537714
2-hydroxy-2-morpholin-4-ylacetic acid
CID 12864793
3-methyl-2-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838021
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid?
The IUPAC name of 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid (CID 140976949) is 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid.
What is the SMILES notation for 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid?
The canonical SMILES for 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid is O=C(O)C(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid?
The InChIKey is VPPRTJZDMXIXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO5/c9-5(7(11)12)6(10)8-1-3-13-4-2-8/h5,9H,1-4H2,(H,11,12).
What are the key properties of 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid?
2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid has a molecular weight of 189.17 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-morpholin-4-yl-3-oxopropanoic acid is sourced from PubChem (CID 140976949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).