2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid

C16H24O8 — CID 21440270

IUPAC2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid
SMILESCOC(=O)C1C(OC2CCCCO2)CC(OC(C)=O)C1CC(=O)O
InChIInChI=1S/C16H24O8/c1-9(17)23-11-8-12(24-14-5-3-4-6-22-14)15(16(20)21-2)10(11)7-13(18)19/h10-12,14-15H,3-8H2,1-2H3,(H,18,19)
InChIKeyNSGFGLFQGJIUJK-UHFFFAOYSA-N
MW344.36 g/mol
LogP1.11
Rot. Bonds6

About 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid

2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid (PubChem CID 21440270) has the molecular formula C16H24O8 and a molecular weight of 344.36 g/mol. Its IUPAC name is 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid
PubChem CID21440270
Molecular FormulaC16H24O8
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC Name2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid
SMILESCOC(=O)C1C(OC2CCCCO2)CC(OC(C)=O)C1CC(=O)O
InChIInChI=1S/C16H24O8/c1-9(17)23-11-8-12(24-14-5-3-4-6-22-14)15(16(20)21-2)10(11)7-13(18)19/h10-12,14-15H,3-8H2,1-2H3,(H,18,19)
InChIKeyNSGFGLFQGJIUJK-UHFFFAOYSA-N
XLogP1.11
TPSA108.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The IUPAC name of 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid (CID 21440270) is 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The canonical SMILES for 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid is COC(=O)C1C(OC2CCCCO2)CC(OC(C)=O)C1CC(=O)O.
What is the InChIKey of 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
The InChIKey is NSGFGLFQGJIUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O8/c1-9(17)23-11-8-12(24-14-5-3-4-6-22-14)15(16(20)21-2)10(11)7-13(18)19/h10-12,14-15H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid?
2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid has a molecular weight of 344.36 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-acetyloxy-2-methoxycarbonyl-3-(oxan-2-yloxy)cyclopentyl]acetic acid is sourced from PubChem (CID 21440270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).