2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid

C13H19NO4 — CID 124515358

IUPAC2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1
InChIInChI=1S/C13H19NO4/c15-12(7-10-3-1-2-4-10)14-5-6-18-11(9-14)8-13(16)17/h1,3,10-11H,2,4-9H2,(H,16,17)/t10-,11+/m1/s1
InChIKeyYWPJSZMGRHTNFK-MNOVXSKESA-N
MW253.30 g/mol
LogP1.04
Rot. Bonds4

About 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid

2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid (PubChem CID 124515358) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
PubChem CID124515358
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid
SMILESO=C(O)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1
InChIInChI=1S/C13H19NO4/c15-12(7-10-3-1-2-4-10)14-5-6-18-11(9-14)8-13(16)17/h1,3,10-11H,2,4-9H2,(H,16,17)/t10-,11+/m1/s1
InChIKeyYWPJSZMGRHTNFK-MNOVXSKESA-N
XLogP1.04
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1R)-cyclopent-2-en-1-yl]-1-[(2S)-2-[[cyclopropylmethyl(methyl)amino]methyl]morpholin-4-yl]ethanone
CID 129341139
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[4-[2-(thian-4-yl)acetyl]morpholin-2-yl]acetic acid
CID 83144878
2-[4-(3,3-dicyclopropylpropanoyl)morpholin-2-yl]acetic acid
CID 119248213
1-(2-cyclopent-2-en-1-ylacetyl)piperidine-3,4-dicarboxylic acid
CID 115918261
2-[4-(cyclohex-3-en-1-ylcarbamoyl)morpholin-2-yl]acetic acid
CID 66434709
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
1-(3-aminopiperidin-1-yl)-2-cyclopent-2-en-1-ylethanone
CID 61297208
2-[(2R)-4-[3-[(2S)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515314
2-[(2R)-4-[3-[(2R)-oxan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515315
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71928809
2-[4-(3-phenylpropanoyl)morpholin-2-yl]acetic acid
CID 66422337

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid?
The IUPAC name of 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid (CID 124515358) is 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid is O=C(O)C[C@H]1CN(C(=O)C[C@@H]2C=CCC2)CCO1.
What is the InChIKey of 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid?
The InChIKey is YWPJSZMGRHTNFK-MNOVXSKESA-N. The full InChI is InChI=1S/C13H19NO4/c15-12(7-10-3-1-2-4-10)14-5-6-18-11(9-14)8-13(16)17/h1,3,10-11H,2,4-9H2,(H,16,17)/t10-,11+/m1/s1.
What are the key properties of 2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid?
2-[(2S)-4-[2-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid has a molecular weight of 253.30 g/mol, XLogP of 1.04, 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-[(1R)-cyclopent-2-en-1-yl]acetyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 124515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).