2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid

C13H22N2O5 — CID 114469359

IUPAC2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
SMILESC=C(C)COCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C13H22N2O5/c1-10(2)8-19-5-3-14-13(18)15-4-6-20-9-11(15)7-12(16)17/h11H,1,3-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyHUFHQLNQNYYKRM-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.46
Rot. Bonds7

About 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid

2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid (PubChem CID 114469359) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
PubChem CID114469359
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid
SMILESC=C(C)COCCNC(=O)N1CCOCC1CC(=O)O
InChIInChI=1S/C13H22N2O5/c1-10(2)8-19-5-3-14-13(18)15-4-6-20-9-11(15)7-12(16)17/h11H,1,3-9H2,2H3,(H,14,18)(H,16,17)
InChIKeyHUFHQLNQNYYKRM-UHFFFAOYSA-N
XLogP0.46
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-propan-2-yloxybutylcarbamoyl)morpholin-3-yl]acetic acid
CID 106004541
2-[4-[3-[methyl(propan-2-yl)amino]propylcarbamoyl]morpholin-3-yl]acetic acid
CID 106039296
2-[(3R)-4-[(2R)-2,4-dimethylpent-4-enoyl]morpholin-3-yl]acetic acid
CID 129469870
2-[4-[(3-methoxycyclobutyl)carbamoyl]morpholin-3-yl]acetic acid
CID 114120332
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970
3-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 102783102
2-methyl-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744591
2-[4-(thiolan-3-ylmethylcarbamoyl)morpholin-3-yl]acetic acid
CID 107297364
2-[4-[(2-methylthiolan-2-yl)methylcarbamoyl]morpholin-3-yl]acetic acid
CID 80742933
(2S)-4-hydroxy-1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 104929470
1-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]azetidine-3-carboxylic acid
CID 114469392
N-[2-(2-methylprop-2-enoxy)ethyl]oxane-3-carboxamide
CID 115700210

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid (CID 114469359) is 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid is C=C(C)COCCNC(=O)N1CCOCC1CC(=O)O.
What is the InChIKey of 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid?
The InChIKey is HUFHQLNQNYYKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-10(2)8-19-5-3-14-13(18)15-4-6-20-9-11(15)7-12(16)17/h11H,1,3-9H2,2H3,(H,14,18)(H,16,17).
What are the key properties of 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid?
2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-methylprop-2-enoxy)ethylcarbamoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 114469359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).