2-(morpholin-4-ylmethyl)prop-2-enoic acid

C8H13NO3 — CID 10397232

IUPAC2-(morpholin-4-ylmethyl)prop-2-enoic acid
SMILESC=C(CN1CCOCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h1-6H2,(H,10,11)
InChIKeyIGZSSKAOSOCVPH-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.04
Rot. Bonds3

About 2-(morpholin-4-ylmethyl)prop-2-enoic acid

2-(morpholin-4-ylmethyl)prop-2-enoic acid (PubChem CID 10397232) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)prop-2-enoic acid
PubChem CID10397232
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name2-(morpholin-4-ylmethyl)prop-2-enoic acid
SMILESC=C(CN1CCOCC1)C(=O)O
InChIInChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h1-6H2,(H,10,11)
InChIKeyIGZSSKAOSOCVPH-UHFFFAOYSA-N
XLogP-0.04
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2-(morpholin-4-ylmethyl)prop-2-enoic acid?
The IUPAC name of 2-(morpholin-4-ylmethyl)prop-2-enoic acid (CID 10397232) is 2-(morpholin-4-ylmethyl)prop-2-enoic acid.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)prop-2-enoic acid?
The canonical SMILES for 2-(morpholin-4-ylmethyl)prop-2-enoic acid is C=C(CN1CCOCC1)C(=O)O.
What is the InChIKey of 2-(morpholin-4-ylmethyl)prop-2-enoic acid?
The InChIKey is IGZSSKAOSOCVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c1-7(8(10)11)6-9-2-4-12-5-3-9/h1-6H2,(H,10,11).
What are the key properties of 2-(morpholin-4-ylmethyl)prop-2-enoic acid?
2-(morpholin-4-ylmethyl)prop-2-enoic acid has a molecular weight of 171.20 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)prop-2-enoic acid is sourced from PubChem (CID 10397232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).