2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid

C12H19NO3 — CID 114620461

IUPAC2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(C2C=CCCC2)CCO1
InChIInChI=1S/C12H19NO3/c14-12(15)8-11-9-13(6-7-16-11)10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2,(H,14,15)
InChIKeyZTVDEQRXGZRTGP-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.27
Rot. Bonds3

About 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid

2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid (PubChem CID 114620461) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid
PubChem CID114620461
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid
SMILESO=C(O)CC1CN(C2C=CCCC2)CCO1
InChIInChI=1S/C12H19NO3/c14-12(15)8-11-9-13(6-7-16-11)10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2,(H,14,15)
InChIKeyZTVDEQRXGZRTGP-UHFFFAOYSA-N
XLogP1.27
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid?
The IUPAC name of 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid (CID 114620461) is 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid.
What is the SMILES notation for 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid?
The canonical SMILES for 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid is O=C(O)CC1CN(C2C=CCCC2)CCO1.
What is the InChIKey of 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid?
The InChIKey is ZTVDEQRXGZRTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c14-12(15)8-11-9-13(6-7-16-11)10-4-2-1-3-5-10/h2,4,10-11H,1,3,5-9H2,(H,14,15).
What are the key properties of 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid?
2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid has a molecular weight of 225.29 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclohex-2-en-1-ylmorpholin-2-yl)acetic acid is sourced from PubChem (CID 114620461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).