2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid

C8H12N2O5 — CID 144688220

IUPAC2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid
SMILESO=NCCN1CCOC(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O5/c11-7(12)5-6-8(13)10(2-1-9-14)3-4-15-6/h6H,1-5H2,(H,11,12)
InChIKeySRFARBNDYYHDID-UHFFFAOYSA-N
MW216.19 g/mol
LogP-0.55
Rot. Bonds5

About 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid

2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid (PubChem CID 144688220) has the molecular formula C8H12N2O5 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid
PubChem CID144688220
Molecular FormulaC8H12N2O5
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid
SMILESO=NCCN1CCOC(CC(=O)O)C1=O
InChIInChI=1S/C8H12N2O5/c11-7(12)5-6-8(13)10(2-1-9-14)3-4-15-6/h6H,1-5H2,(H,11,12)
InChIKeySRFARBNDYYHDID-UHFFFAOYSA-N
XLogP-0.55
TPSA96.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-methylbutyl)-3-oxomorpholin-2-yl]propanoic acid
CID 117008445
2-[(2R)-3-oxo-2-prop-2-enylmorpholin-4-yl]acetic acid
CID 144688131
2-(2-hydroxyethyl)-4-pentylmorpholin-3-one
CID 117008383
2-[(2S)-2-ethyl-3-oxomorpholin-4-yl]acetamide
CID 7629072
2-[(2R)-4-benzamido-3-oxomorpholin-2-yl]acetic acid
CID 11097854
2-[(2S)-4-(benzylamino)-3-oxomorpholin-2-yl]acetic acid
CID 10901474
N-(2,4-dibromophenyl)-2-[(2S)-3-oxo-4-propylmorpholin-2-yl]acetamide
CID 29080115
2-[4-(3-nitroanilino)-3-oxomorpholin-2-yl]acetic acid
CID 11808555
2-(methylaminomethyl)-4-(3-methylbutyl)morpholin-3-one
CID 117008575
2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]-N-(4-fluorophenyl)acetamide
CID 941057
2-[(2S,5S)-5-(carboxymethyl)-3,6-dioxo-1,4-dioxan-2-yl]acetic acid
CID 151015112
dimethyl 5-[[2-[(2S)-4-benzyl-3-oxomorpholin-2-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 41000175

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid (CID 144688220) is 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid is O=NCCN1CCOC(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is SRFARBNDYYHDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O5/c11-7(12)5-6-8(13)10(2-1-9-14)3-4-15-6/h6H,1-5H2,(H,11,12).
What are the key properties of 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid?
2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 216.19 g/mol, XLogP of -0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-nitrosoethyl)-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 144688220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).