2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid

C9H12O4 — CID 134854920

IUPAC2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCC2OC(=O)CC21
InChIInChI=1S/C9H12O4/c10-8(11)3-5-1-2-7-6(5)4-9(12)13-7/h5-7H,1-4H2,(H,10,11)/t5-,6?,7?/m0/s1
InChIKeyAHMZWWRKJYUGNR-VTSJMVTISA-N
MW184.19 g/mol
LogP0.80
Rot. Bonds2

About 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid

2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid (PubChem CID 134854920) has the molecular formula C9H12O4 and a molecular weight of 184.19 g/mol. Its IUPAC name is 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid.

Molecular Properties

Compound Name2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid
PubChem CID134854920
Molecular FormulaC9H12O4
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid
SMILESO=C(O)C[C@@H]1CCC2OC(=O)CC21
InChIInChI=1S/C9H12O4/c10-8(11)3-5-1-2-7-6(5)4-9(12)13-7/h5-7H,1-4H2,(H,10,11)/t5-,6?,7?/m0/s1
InChIKeyAHMZWWRKJYUGNR-VTSJMVTISA-N
XLogP0.80
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid with MolForge

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Related Compounds

(3aR,4S,5R,6aS)-(-)-Hexahydro-5-hydroxy-4-(hydroxymethyl)-2H-cyclopenta[b]furan-2-one
CID 2724453
(3aS,4R,5S,6aR)-5-hydroxy-4,5-dimethyl-3a,4,6,6a-tetrahydro-3H-cyclopenta[b]furan-2-one
CID 86294723
(3aR,4R,5S,6aS)-4-(hydroxymethyl)-5-methyl-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 11298203
Pestalotiolactone A
CID 132496982
Myrotheciumone A
CID 139585840
Pestalotiolactone D
CID 146683067
(3aR,4R,5R,6aS)-4-Fluoromethyl-hexahydro-5-methoxy-2H-cyclopentafuran-2-one
CID 25020820
((3aR,4S,5R,6aS)-5-Acetoxy-2-oxohexahydro-2H-cyclopenta[b]furan-4-yl)methyl acetate
CID 363762
(+)-Corey lactone
CID 11084331
rac-(3aR,6S,6aS)-6-hydroxy-hexahydro-2H-cyclopenta[b]furan-2-one
CID 10844480
6-Hydroxyhexahydrocyclopenta[b]furan-2-one
CID 534797
methyl 2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetate
CID 11030779

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid?
The IUPAC name of 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid (CID 134854920) is 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid.
What is the SMILES notation for 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid?
The canonical SMILES for 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid is O=C(O)C[C@@H]1CCC2OC(=O)CC21.
What is the InChIKey of 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid?
The InChIKey is AHMZWWRKJYUGNR-VTSJMVTISA-N. The full InChI is InChI=1S/C9H12O4/c10-8(11)3-5-1-2-7-6(5)4-9(12)13-7/h5-7H,1-4H2,(H,10,11)/t5-,6?,7?/m0/s1.
What are the key properties of 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid?
2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid has a molecular weight of 184.19 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetic acid is sourced from PubChem (CID 134854920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).