4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid

C10H16N2O4 — CID 83095341

IUPAC4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid
SMILESCC(=CCN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-7(10(14)15)2-3-12-4-5-16-6-8(12)9(11)13/h2,8H,3-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJUDJQNVQGFSWEQ-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.80
Rot. Bonds4

About 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid

4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid (PubChem CID 83095341) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid
PubChem CID83095341
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid
SMILESCC(=CCN1CCOCC1C(N)=O)C(=O)O
InChIInChI=1S/C10H16N2O4/c1-7(10(14)15)2-3-12-4-5-16-6-8(12)9(11)13/h2,8H,3-6H2,1H3,(H2,11,13)(H,14,15)
InChIKeyJUDJQNVQGFSWEQ-UHFFFAOYSA-N
XLogP-0.80
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid?
The IUPAC name of 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid (CID 83095341) is 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid.
What is the SMILES notation for 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid?
The canonical SMILES for 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid is CC(=CCN1CCOCC1C(N)=O)C(=O)O.
What is the InChIKey of 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid?
The InChIKey is JUDJQNVQGFSWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(10(14)15)2-3-12-4-5-16-6-8(12)9(11)13/h2,8H,3-6H2,1H3,(H2,11,13)(H,14,15).
What are the key properties of 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid?
4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoic acid is sourced from PubChem (CID 83095341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).