2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide

C11H20N2O3 — CID 10609405

IUPAC2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCCO[C@H]1C=C[C@@H](OCC)C1NCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-15-8-5-6-9(16-4-2)11(8)13-7-10(12)14/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H2,12,14)/t8-,9+,11?
InChIKeyXEYPFZRCNJFDOD-SLHIUPAKSA-N
MW228.29 g/mol
LogP-0.19
Rot. Bonds7

About 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide

2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide (PubChem CID 10609405) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide
PubChem CID10609405
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCCO[C@H]1C=C[C@@H](OCC)C1NCC(N)=O
InChIInChI=1S/C11H20N2O3/c1-3-15-8-5-6-9(16-4-2)11(8)13-7-10(12)14/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H2,12,14)/t8-,9+,11?
InChIKeyXEYPFZRCNJFDOD-SLHIUPAKSA-N
XLogP-0.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
CID 10560584
CID 10560584
[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate
CID 10633096
N-[(1R,2R,6S)-6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl]acetamide
CID 68789403
N-(6-amino-2-pentan-3-yloxycyclohex-3-en-1-yl)acetamide
CID 69401741
(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine
CID 10511736
N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
CID 10773872
2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide
CID 10798093
2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
CID 102601846
2-[[(1S,2R,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
CID 124670293
2-[[(1S,2S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
CID 124670294
[(1S,4R,5S)-5-acetamido-4-pentan-3-yloxycyclopent-2-en-1-yl] acetate
CID 132561447

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide?
The IUPAC name of 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide (CID 10609405) is 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide.
What is the SMILES notation for 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide?
The canonical SMILES for 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide is CCO[C@H]1C=C[C@@H](OCC)C1NCC(N)=O.
What is the InChIKey of 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide?
The InChIKey is XEYPFZRCNJFDOD-SLHIUPAKSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-3-15-8-5-6-9(16-4-2)11(8)13-7-10(12)14/h5-6,8-9,11,13H,3-4,7H2,1-2H3,(H2,12,14)/t8-,9+,11?.
What are the key properties of 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide?
2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide has a molecular weight of 228.29 g/mol, XLogP of -0.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide is sourced from PubChem (CID 10609405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).