[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate

C11H16FNO5 — CID 10038273

IUPAC[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1[C@H](F)[C@@H](C(N)=O)C[C@H]1OC(C)=O
InChIInChI=1S/C11H16FNO5/c1-5(14)17-4-8-9(18-6(2)15)3-7(10(8)12)11(13)16/h7-10H,3-4H2,1-2H3,(H2,13,16)/t7-,8+,9+,10+/m0/s1
InChIKeyBKKSLQZWHOMXPB-SGIHWFKDSA-N
MW261.25 g/mol
LogP-0.06
Rot. Bonds4

About [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate

[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate (PubChem CID 10038273) has the molecular formula C11H16FNO5 and a molecular weight of 261.25 g/mol. Its IUPAC name is [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate.

Molecular Properties

Compound Name[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate
PubChem CID10038273
Molecular FormulaC11H16FNO5
Molecular Weight261.25 g/mol
Exact Mass261.10
IUPAC Name[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate
SMILESCC(=O)OC[C@H]1[C@H](F)[C@@H](C(N)=O)C[C@H]1OC(C)=O
InChIInChI=1S/C11H16FNO5/c1-5(14)17-4-8-9(18-6(2)15)3-7(10(8)12)11(13)16/h7-10H,3-4H2,1-2H3,(H2,13,16)/t7-,8+,9+,10+/m0/s1
InChIKeyBKKSLQZWHOMXPB-SGIHWFKDSA-N
XLogP-0.06
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate with MolForge

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Related Compounds

[(2R)-3,5-diacetyloxyoxolan-2-yl]methyl acetate
CID 121297431
[(3aR,4R,5R,6aS)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 11184409
[(3aR,4R,5S,6aR)-5-acetyloxy-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]methyl acetate
CID 14184165
[(1R,2R,3S,4S)-2,3,4,5-tetraacetyloxycyclohexyl]methyl acetate
CID 153447573
[(2R,3R,5R)-3-acetyloxy-5-methoxyoxolan-2-yl]methyl acetate
CID 14214681
[(2S,3R,4S,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 124546051
[(3S,4S,6R)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903122
[(3S,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 71090759
[(2R,3S,4R,6S)-3,4-diacetyloxy-6-hydroxyoxan-2-yl]methyl acetate
CID 12903120
[(2R,3R,4R,6R)-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 14078932
2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopentane-1-carboxamide
CID 85112688
trans-ethyl (1R,2R)-2-acetyloxycyclopropane-1-carboxylate
CID 11423844

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate?
The IUPAC name of [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate (CID 10038273) is [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate.
What is the SMILES notation for [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate?
The canonical SMILES for [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate is CC(=O)OC[C@H]1[C@H](F)[C@@H](C(N)=O)C[C@H]1OC(C)=O.
What is the InChIKey of [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate?
The InChIKey is BKKSLQZWHOMXPB-SGIHWFKDSA-N. The full InChI is InChI=1S/C11H16FNO5/c1-5(14)17-4-8-9(18-6(2)15)3-7(10(8)12)11(13)16/h7-10H,3-4H2,1-2H3,(H2,13,16)/t7-,8+,9+,10+/m0/s1.
What are the key properties of [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate?
[(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate has a molecular weight of 261.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3R,5R)-5-acetyloxy-3-carbamoyl-2-fluorocyclopentyl]methyl acetate is sourced from PubChem (CID 10038273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).