2-morpholin-2-ylprop-2-enoic acid

C7H11NO3 — CID 175579148

IUPAC2-morpholin-2-ylprop-2-enoic acid
SMILESC=C(C(=O)O)C1CNCCO1
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)6-4-8-2-3-11-6/h6,8H,1-4H2,(H,9,10)
InChIKeyISXFNWYXASEXQV-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.38
Rot. Bonds2

About 2-morpholin-2-ylprop-2-enoic acid

2-morpholin-2-ylprop-2-enoic acid (PubChem CID 175579148) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 2-morpholin-2-ylprop-2-enoic acid.

Molecular Properties

Compound Name2-morpholin-2-ylprop-2-enoic acid
PubChem CID175579148
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name2-morpholin-2-ylprop-2-enoic acid
SMILESC=C(C(=O)O)C1CNCCO1
InChIInChI=1S/C7H11NO3/c1-5(7(9)10)6-4-8-2-3-11-6/h6,8H,1-4H2,(H,9,10)
InChIKeyISXFNWYXASEXQV-UHFFFAOYSA-N
XLogP-0.38
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-prop-1-en-2-ylmorpholine;hydrochloride
CID 154577477
ethane;morpholine-2-carboxylic acid
CID 170608685
(2R)-morpholine-2-carboxamide
CID 51600069
ethane;1-morpholin-2-ylethanone
CID 143224838
2-morpholin-2-yl-2-oxoacetaldehyde
CID 19972079
1,3-di(morpholin-2-yl)propan-1-one
CID 174895095
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
2-methyl-1-morpholin-2-ylprop-2-en-1-one;1-morpholin-2-ylprop-2-en-1-one
CID 23164285
2,2-difluoro-1-morpholin-2-ylethanone;hydrate;hydrochloride
CID 172639710
1-morpholin-2-ylbut-2-en-1-one
CID 70502586
morpholin-2-yl hydrogen carbonate
CID 70064874

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-2-ylprop-2-enoic acid?
The IUPAC name of 2-morpholin-2-ylprop-2-enoic acid (CID 175579148) is 2-morpholin-2-ylprop-2-enoic acid.
What is the SMILES notation for 2-morpholin-2-ylprop-2-enoic acid?
The canonical SMILES for 2-morpholin-2-ylprop-2-enoic acid is C=C(C(=O)O)C1CNCCO1.
What is the InChIKey of 2-morpholin-2-ylprop-2-enoic acid?
The InChIKey is ISXFNWYXASEXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-5(7(9)10)6-4-8-2-3-11-6/h6,8H,1-4H2,(H,9,10).
What are the key properties of 2-morpholin-2-ylprop-2-enoic acid?
2-morpholin-2-ylprop-2-enoic acid has a molecular weight of 157.17 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-2-ylprop-2-enoic acid is sourced from PubChem (CID 175579148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).