2-(3-oxomorpholin-4-yl)acetic acid

C6H9NO4 — CID 50990566

IUPAC2-(3-oxomorpholin-4-yl)acetic acid
SMILESO=C(O)CN1CCOCC1=O
InChIInChI=1S/C6H9NO4/c8-5-4-11-2-1-7(5)3-6(9)10/h1-4H2,(H,9,10)
InChIKeySZUPCAZDKKJKEX-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.07
Rot. Bonds2

About 2-(3-oxomorpholin-4-yl)acetic acid

2-(3-oxomorpholin-4-yl)acetic acid (PubChem CID 50990566) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(3-oxomorpholin-4-yl)acetic acid
PubChem CID50990566
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(3-oxomorpholin-4-yl)acetic acid
SMILESO=C(O)CN1CCOCC1=O
InChIInChI=1S/C6H9NO4/c8-5-4-11-2-1-7(5)3-6(9)10/h1-4H2,(H,9,10)
InChIKeySZUPCAZDKKJKEX-UHFFFAOYSA-N
XLogP-1.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-oxomorpholin-4-yl)acetic 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

(Morpholin-4-yl)(oxo)acetic acid
CID 15401443
4-(2-Hydroxyethyl)morpholin-3-one
CID 15287400
2-(3-Oxomorpholin-4-yl)propanoic acid
CID 79468110
Ethyl 2-[(2-ethoxy-2-oxoethyl)-methylamino]-2-oxoacetate
CID 14985599
Ethyl alpha-oxo-4-morpholineacetate
CID 3414011
Acetoxyacetic acid, morpholide
CID 531940
2-Methyl-2-(3-oxomorpholin-4-yl)propanoic acid
CID 82512191
4-Methyl-morpholine-2,3-dione
CID 11137188
[(2R,6S)-2,6-Dimethylmorpholin-4-YL](oxo)acetic acid
CID 12051430
N-methyl-2,5-morpholinedione
CID 20463711
4-(2-Hydroxyethyl)morpholine-2,3-dione
CID 458488
Ethyl 2-[ethyl(methyl)amino]-2-oxoacetate
CID 60895208

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)acetic acid?
The IUPAC name of 2-(3-oxomorpholin-4-yl)acetic acid (CID 50990566) is 2-(3-oxomorpholin-4-yl)acetic acid.
What is the SMILES notation for 2-(3-oxomorpholin-4-yl)acetic acid?
The canonical SMILES for 2-(3-oxomorpholin-4-yl)acetic acid is O=C(O)CN1CCOCC1=O.
What is the InChIKey of 2-(3-oxomorpholin-4-yl)acetic acid?
The InChIKey is SZUPCAZDKKJKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5-4-11-2-1-7(5)3-6(9)10/h1-4H2,(H,9,10).
What are the key properties of 2-(3-oxomorpholin-4-yl)acetic acid?
2-(3-oxomorpholin-4-yl)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxomorpholin-4-yl)acetic acid is sourced from PubChem (CID 50990566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).