2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid

C14H21NO4 — CID 124515383

IUPAC2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1
InChIInChI=1S/C14H21NO4/c16-13(8-11-4-2-1-3-5-11)15-6-7-19-12(10-15)9-14(17)18/h4,12H,1-3,5-10H2,(H,17,18)/t12-/m0/s1
InChIKeyUAXOUBSZPPWERH-LBPRGKRZSA-N
MW267.32 g/mol
LogP1.58
Rot. Bonds4

About 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid (PubChem CID 124515383) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
PubChem CID124515383
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1
InChIInChI=1S/C14H21NO4/c16-13(8-11-4-2-1-3-5-11)15-6-7-19-12(10-15)9-14(17)18/h4,12H,1-3,5-10H2,(H,17,18)/t12-/m0/s1
InChIKeyUAXOUBSZPPWERH-LBPRGKRZSA-N
XLogP1.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[2-(cyclohexen-1-yl)acetyl]morpholine-2-carboxylate
CID 78947765
2-[4-[2-(4-ethylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 119248876
2-[[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]methylamino]acetic acid
CID 106813470
2-[4-[2-(2-methylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66421746
2-[4-[2-(4-methoxyphenyl)acetyl]morpholin-2-yl]acetic acid
CID 66434960
2-[4-[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]morpholin-2-yl]acetic acid
CID 119247939
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[(2S)-4-[2-(2,3-difluorophenyl)acetyl]morpholin-2-yl]acetic acid
CID 124517152
2-[4-[2-(4-propan-2-ylsulfonylphenyl)acetyl]morpholin-2-yl]acetic acid
CID 120527813
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(cyclohexen-1-yl)ethanone
CID 63563096
3-[1-[2-(cyclohexen-1-yl)acetyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 45229164
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515358

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid (CID 124515383) is 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)CC2=CCCCC2)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid?
The InChIKey is UAXOUBSZPPWERH-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H21NO4/c16-13(8-11-4-2-1-3-5-11)15-6-7-19-12(10-15)9-14(17)18/h4,12H,1-3,5-10H2,(H,17,18)/t12-/m0/s1.
What are the key properties of 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid has a molecular weight of 267.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-4-[2-(cyclohexen-1-yl)acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).