2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate

C17H25NO9 — CID 23634928

IUPAC2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate
SMILESCC(=O)N[C@@H]1[C@@H](CCOC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H25NO9/c1-8(19)18-14-13(6-7-24-9(2)20)15(25-10(3)21)17(27-12(5)23)16(14)26-11(4)22/h13-17H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15-,16-,17+/m1/s1
InChIKeyWUSQQEZFXATAIK-HHARLNAUSA-N
MW387.39 g/mol
LogP-0.13
Rot. Bonds7

About 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate

2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate (PubChem CID 23634928) has the molecular formula C17H25NO9 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate.

Molecular Properties

Compound Name2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate
PubChem CID23634928
Molecular FormulaC17H25NO9
Molecular Weight387.39 g/mol
Exact Mass387.15
IUPAC Name2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate
SMILESCC(=O)N[C@@H]1[C@@H](CCOC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O
InChIInChI=1S/C17H25NO9/c1-8(19)18-14-13(6-7-24-9(2)20)15(25-10(3)21)17(27-12(5)23)16(14)26-11(4)22/h13-17H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15-,16-,17+/m1/s1
InChIKeyWUSQQEZFXATAIK-HHARLNAUSA-N
XLogP-0.13
TPSA134.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate with MolForge

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Related Compounds

[(2S,3S,4R,5R,6R)-3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)piperidin-2-yl]methyl acetate
CID 139044325
[(2R,3R,4R,5R,6R,7R)-6-acetamido-3,4,5-triacetyloxy-7-methoxyoxepan-2-yl]methyl acetate
CID 102422064
[(2R,3R,4R,5R)-5-acetamido-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903143
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447
[(2R,3R,4S,5R,6S)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 26470295
[(3S,4R,5R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
CID 178100528
[(3R,4R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
CID 166604485
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-chlorooxan-2-yl]methyl acetate
CID 11100622
[(2S,3S,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 7111644
[(2R,3R,4S,5R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 1286720
[(3R,6S)-5-acetamido-3,4-diacetyloxy-6-methoxyoxan-2-yl]methyl acetate
CID 134833389

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate?
The IUPAC name of 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate (CID 23634928) is 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate.
What is the SMILES notation for 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate?
The canonical SMILES for 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate is CC(=O)N[C@@H]1[C@@H](CCOC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O.
What is the InChIKey of 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate?
The InChIKey is WUSQQEZFXATAIK-HHARLNAUSA-N. The full InChI is InChI=1S/C17H25NO9/c1-8(19)18-14-13(6-7-24-9(2)20)15(25-10(3)21)17(27-12(5)23)16(14)26-11(4)22/h13-17H,6-7H2,1-5H3,(H,18,19)/t13-,14-,15-,16-,17+/m1/s1.
What are the key properties of 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate?
2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate has a molecular weight of 387.39 g/mol, XLogP of -0.13, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2R,3R,4S,5R)-2-acetamido-3,4,5-triacetyloxycyclopentyl]ethyl acetate is sourced from PubChem (CID 23634928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).