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

C9H16N2O3 — CID 10798093

IUPAC2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCO[C@H]1C=C[C@@H](OC)C1NCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-13-6-3-4-7(14-2)9(6)11-5-8(10)12/h3-4,6-7,9,11H,5H2,1-2H3,(H2,10,12)/t6-,7+,9?
InChIKeyYKRYCESHLLJGKN-AVSFMBPQSA-N
MW200.24 g/mol
LogP-0.97
Rot. Bonds5

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

2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide (PubChem CID 10798093) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide.

Molecular Properties

Compound Name2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide
PubChem CID10798093
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide
SMILESCO[C@H]1C=C[C@@H](OC)C1NCC(N)=O
InChIInChI=1S/C9H16N2O3/c1-13-6-3-4-7(14-2)9(6)11-5-8(10)12/h3-4,6-7,9,11H,5H2,1-2H3,(H2,10,12)/t6-,7+,9?
InChIKeyYKRYCESHLLJGKN-AVSFMBPQSA-N
XLogP-0.97
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide with MolForge

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Related Compounds

CID 10560584
CID 10560584
[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate
CID 10633096
N-[(E,2S,3R)-2-acetamido-3-methoxyhex-4-enyl]acetamide
CID 145097689
(2R,5S)-2,5-dimethoxy-N-propylcyclopent-3-en-1-amine
CID 10511736
2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide
CID 10609405
N-[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]acetamide
CID 10773872
(2R,5S)-2,5-dimethoxy-N-prop-2-enylcyclopent-3-en-1-amine
CID 101993645
2-[[(1S,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
CID 102601846
2-(cyclopent-3-en-1-ylamino)-N-(1-methoxypropan-2-yl)acetamide
CID 116112327
2-(cyclopent-3-en-1-ylamino)-N-(2-methoxyethyl)acetamide
CID 116112420
N-cyclopent-3-en-1-yl-2-(2-methoxyethylamino)acetamide
CID 116112646
2-[[(1S,2R,5S)-2-ethoxy-5-methoxycyclopent-3-en-1-yl]amino]acetamide
CID 124670293

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide?
The IUPAC name of 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide (CID 10798093) is 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide.
What is the SMILES notation for 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide?
The canonical SMILES for 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide is CO[C@H]1C=C[C@@H](OC)C1NCC(N)=O.
What is the InChIKey of 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide?
The InChIKey is YKRYCESHLLJGKN-AVSFMBPQSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-13-6-3-4-7(14-2)9(6)11-5-8(10)12/h3-4,6-7,9,11H,5H2,1-2H3,(H2,10,12)/t6-,7+,9?.
What are the key properties of 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide?
2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide has a molecular weight of 200.24 g/mol, XLogP of -0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide is sourced from PubChem (CID 10798093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).