2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid

C13H20N2O4 — CID 66434709

IUPAC2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2CC=CCC2)CCO1
InChIInChI=1S/C13H20N2O4/c16-12(17)8-11-9-15(6-7-19-11)13(18)14-10-4-2-1-3-5-10/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17)
InChIKeyGMOTUPFAYZZNIY-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.98
Rot. Bonds3

About 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid

2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid (PubChem CID 66434709) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
PubChem CID66434709
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C(=O)NC2CC=CCC2)CCO1
InChIInChI=1S/C13H20N2O4/c16-12(17)8-11-9-15(6-7-19-11)13(18)14-10-4-2-1-3-5-10/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17)
InChIKeyGMOTUPFAYZZNIY-UHFFFAOYSA-N
XLogP0.98
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(1R)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819343
(2S)-N-[(1S)-cyclohex-3-en-1-yl]-2-propylmorpholine-4-carboxamide
CID 99819345
2-[4-[(1,1-dioxothian-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433295
2-[4-[(2,2-dimethyloxan-4-yl)carbamoyl]morpholin-2-yl]acetic acid
CID 83034767
2-[4-[(2-methylcyclopropyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66435660
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433739
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358
2-[4-[(2-ethylcyclohexyl)carbamoyl]morpholin-2-yl]acetic acid
CID 66433704
(3S)-1-(cyclohex-3-en-1-ylcarbamoyl)piperidine-3-carboxylic acid
CID 81123190
2-[4-(1-cyclopropylethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66435617
N-cyclopentyl-2-(hydroxymethyl)morpholine-4-carboxamide
CID 79832616
(3R)-N-[(1R)-cyclohex-3-en-1-yl]-3-(2-methyl-1,3-dioxolan-2-yl)piperidine-1-carboxamide
CID 99820518

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid (CID 66434709) is 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C(=O)NC2CC=CCC2)CCO1.
What is the InChIKey of 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid?
The InChIKey is GMOTUPFAYZZNIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-12(17)8-11-9-15(6-7-19-11)13(18)14-10-4-2-1-3-5-10/h1-2,10-11H,3-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid?
2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66434709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).