2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid

C11H20N2O4 — CID 64581322

IUPAC2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
SMILESCCC1COCCN1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-9-7-17-5-4-13(9)6-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySQFOYTXPYYZPSV-UHFFFAOYSA-N
MW244.29 g/mol
LogP-0.31
Rot. Bonds5

About 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid

2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid (PubChem CID 64581322) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
PubChem CID64581322
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid
SMILESCCC1COCCN1CC(NC(C)=O)C(=O)O
InChIInChI=1S/C11H20N2O4/c1-3-9-7-17-5-4-13(9)6-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16)
InChIKeySQFOYTXPYYZPSV-UHFFFAOYSA-N
XLogP-0.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetamido-3-(2-ethylpyrrolidin-1-yl)propanoic acid
CID 64581919
2-[(3-ethylmorpholin-4-yl)methyl]-3,3,3-trifluoropropanoic acid
CID 80997073
2-amino-4-(3-ethylmorpholin-4-yl)butanoic acid
CID 63053517
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 107566263
2-acetamido-3-(3-oxomorpholin-4-yl)propanoic acid
CID 79469214
4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
(2S)-2-[(3-ethylmorpholine-4-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63305374
2-acetamido-3-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propanoic acid
CID 64582737
4-(3-bromo-2-methylpropyl)-3-ethylmorpholine
CID 64996341
6-(3-ethylmorpholin-4-yl)hexan-3-one
CID 106801201
2-[(3-ethylmorpholin-4-yl)methyl]-2-methylbutanoic acid
CID 62272323
1-cyclohexyl-2-(3-ethylmorpholin-4-yl)ethanol
CID 113449096

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid?
The IUPAC name of 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid (CID 64581322) is 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid is CCC1COCCN1CC(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid?
The InChIKey is SQFOYTXPYYZPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-9-7-17-5-4-13(9)6-10(11(15)16)12-8(2)14/h9-10H,3-7H2,1-2H3,(H,12,14)(H,15,16).
What are the key properties of 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid?
2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3-ethylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 64581322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).