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

C10H16N2O4 — CID 83095808

IUPAC4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1CCOCC1C(N)=O
InChIInChI=1S/C10H16N2O4/c1-7(4-9(13)14)5-12-2-3-16-6-8(12)10(11)15/h4,8H,2-3,5-6H2,1H3,(H2,11,15)(H,13,14)
InChIKeyGMDXMVCGTSWOEL-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.80
Rot. Bonds4

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

4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid (PubChem CID 83095808) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid.

Molecular Properties

Compound Name4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
PubChem CID83095808
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid
SMILESCC(=CC(=O)O)CN1CCOCC1C(N)=O
InChIInChI=1S/C10H16N2O4/c1-7(4-9(13)14)5-12-2-3-16-6-8(12)10(11)15/h4,8H,2-3,5-6H2,1H3,(H2,11,15)(H,13,14)
InChIKeyGMDXMVCGTSWOEL-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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Related Compounds

4-(3-ethylmorpholin-4-yl)-3-methylbut-2-enoic acid
CID 77006511
4-[2-oxo-2-(oxolan-3-yl)ethyl]morpholine-3-carboxamide
CID 104751036
3-(3-carbamoylmorpholin-4-yl)-2-hydroxy-2-methylpropanoic acid
CID 83096482
methyl 4-(3-carbamoylmorpholin-4-yl)-2-methylbut-2-enoate
CID 83092824
4-hexylmorpholine-3-carboxamide
CID 174697838
4-(2-methoxyethyl)morpholine-3-carboxamide
CID 129061483
4-(2-oxo-3-phenylpropyl)morpholine-3-carboxamide
CID 83096073
3-methyl-4-morpholin-4-ylbut-2-enoic acid;hydrochloride
CID 134690671
4-(cyanomethyl)morpholine-3-carboxamide
CID 83092724
4-[(3-methylcyclobutyl)methyl]morpholine-3-carboxamide
CID 123511667
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3-carboxamide
CID 83095437
4-[2-(4-hydroxyphenyl)-2-oxoethyl]morpholine-3-carboxamide
CID 83095436

Frequently Asked Questions

What is the IUPAC name of 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The IUPAC name of 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid (CID 83095808) is 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid.
What is the SMILES notation for 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The canonical SMILES for 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid is CC(=CC(=O)O)CN1CCOCC1C(N)=O.
What is the InChIKey of 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid?
The InChIKey is GMDXMVCGTSWOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-7(4-9(13)14)5-12-2-3-16-6-8(12)10(11)15/h4,8H,2-3,5-6H2,1H3,(H2,11,15)(H,13,14).
What are the key properties of 4-(3-carbamoylmorpholin-4-yl)-3-methylbut-2-enoic acid?
4-(3-carbamoylmorpholin-4-yl)-3-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)-3-methylbut-2-enoic acid is sourced from PubChem (CID 83095808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).