[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate

C10H16N2O4 — CID 10633096

IUPAC[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate
SMILESCO[C@@H]1C=C[C@H](OC(C)=O)[C@H]1NCC(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(13)16-8-4-3-7(15-2)10(8)12-5-9(11)14/h3-4,7-8,10,12H,5H2,1-2H3,(H2,11,14)/t7-,8+,10+/m1/s1
InChIKeyYGTOKBFETYUSGL-WEDXCCLWSA-N
MW228.25 g/mol
LogP-1.05
Rot. Bonds5

About [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate

[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate (PubChem CID 10633096) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate.

Molecular Properties

Compound Name[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate
PubChem CID10633096
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate
SMILESCO[C@@H]1C=C[C@H](OC(C)=O)[C@H]1NCC(N)=O
InChIInChI=1S/C10H16N2O4/c1-6(13)16-8-4-3-7(15-2)10(8)12-5-9(11)14/h3-4,7-8,10,12H,5H2,1-2H3,(H2,11,14)/t7-,8+,10+/m1/s1
InChIKeyYGTOKBFETYUSGL-WEDXCCLWSA-N
XLogP-1.05
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 10933640
[(2S,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 11791340
[(2R,3S,6S)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592565
[(2R,3S,6R)-3-acetyloxy-6-ethyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592566
[(1S,4R)-5-[4-[acetyl-[(2R,5S)-2,5-diacetyloxycyclopent-3-en-1-yl]amino]but-2-enylamino]-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 135007306
[(1S,4R,5S)-4-methoxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10536548
CID 10560584
CID 10560584
2-[[(2S,5R)-2,5-diethoxycyclopent-3-en-1-yl]amino]acetamide
CID 10609405
[(1R,4S)-4-acetyloxy-5-(propylamino)cyclopent-2-en-1-yl] acetate
CID 10633842
[(1R,4S)-5-acetamido-4-acetyloxycyclopent-2-en-1-yl] acetate
CID 10705258
2-[[(2R,5S)-2,5-dimethoxycyclopent-3-en-1-yl]amino]acetamide
CID 10798093
[(2R,3S,6S)-3-acetyloxy-6-prop-2-enyl-1,2,3,6-tetrahydropyridin-2-yl]methyl acetate
CID 21592563

Frequently Asked Questions

What is the IUPAC name of [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate?
The IUPAC name of [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate (CID 10633096) is [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate.
What is the SMILES notation for [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate?
The canonical SMILES for [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate is CO[C@@H]1C=C[C@H](OC(C)=O)[C@H]1NCC(N)=O.
What is the InChIKey of [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate?
The InChIKey is YGTOKBFETYUSGL-WEDXCCLWSA-N. The full InChI is InChI=1S/C10H16N2O4/c1-6(13)16-8-4-3-7(15-2)10(8)12-5-9(11)14/h3-4,7-8,10,12H,5H2,1-2H3,(H2,11,14)/t7-,8+,10+/m1/s1.
What are the key properties of [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate?
[(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate has a molecular weight of 228.25 g/mol, XLogP of -1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R,5S)-5-[(2-amino-2-oxoethyl)amino]-4-methoxycyclopent-2-en-1-yl] acetate is sourced from PubChem (CID 10633096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).