2-(5-oxomorpholin-2-yl)acetic acid

C6H9NO4 — CID 83815625

IUPAC2-(5-oxomorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CNC(=O)CO1
InChIInChI=1S/C6H9NO4/c8-5-3-11-4(2-7-5)1-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyCQQYYQCRLYZVAX-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.02
Rot. Bonds2

About 2-(5-oxomorpholin-2-yl)acetic acid

2-(5-oxomorpholin-2-yl)acetic acid (PubChem CID 83815625) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 2-(5-oxomorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-oxomorpholin-2-yl)acetic acid
PubChem CID83815625
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name2-(5-oxomorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CNC(=O)CO1
InChIInChI=1S/C6H9NO4/c8-5-3-11-4(2-7-5)1-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10)
InChIKeyCQQYYQCRLYZVAX-UHFFFAOYSA-N
XLogP-1.02
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethylmorpholin-3-one
CID 77393291
6-(aminomethyl)morpholin-3-one;hydrochloride
CID 22612261
6-(3-aminopropyl)morpholin-3-one
CID 115060325
6-(ethylaminomethyl)morpholin-3-one
CID 105430931
6-[(4-methylidenepiperidin-1-yl)methyl]morpholin-3-one
CID 175647969
6-(thiolan-2-ylmethyl)morpholin-3-one
CID 117159101
6-(furan-2-ylmethyl)morpholin-3-one
CID 117159245
(6S)-6-[[(1E,3E)-1-amino-3-tert-butylpenta-1,3-dienoxy]methyl]morpholin-3-one
CID 171811313
2-(5-oxomorpholin-3-yl)acetic acid
CID 84650865
6-[(1,1-dioxothiolan-3-yl)methyl]morpholin-3-one
CID 117159031
6-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]piperidin-1-yl]methyl]morpholin-3-one
CID 171994377
ethane;(6S)-6-methylmorpholin-3-one
CID 144732959

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxomorpholin-2-yl)acetic acid?
The IUPAC name of 2-(5-oxomorpholin-2-yl)acetic acid (CID 83815625) is 2-(5-oxomorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-oxomorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(5-oxomorpholin-2-yl)acetic acid is O=C(O)CC1CNC(=O)CO1.
What is the InChIKey of 2-(5-oxomorpholin-2-yl)acetic acid?
The InChIKey is CQQYYQCRLYZVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c8-5-3-11-4(2-7-5)1-6(9)10/h4H,1-3H2,(H,7,8)(H,9,10).
What are the key properties of 2-(5-oxomorpholin-2-yl)acetic acid?
2-(5-oxomorpholin-2-yl)acetic acid has a molecular weight of 159.14 g/mol, XLogP of -1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxomorpholin-2-yl)acetic acid is sourced from PubChem (CID 83815625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).