trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid

C8H10O5 — CID 118988969

IUPACtrans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeySOSNFEHKRDJYIS-PHDIDXHHSA-N
MW186.16 g/mol
LogP-0.16
Rot. Bonds2

About trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid

trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid (PubChem CID 118988969) has the molecular formula C8H10O5 and a molecular weight of 186.16 g/mol. Its IUPAC name is trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
PubChem CID118988969
Molecular FormulaC8H10O5
Molecular Weight186.16 g/mol
Exact Mass186.05
IUPAC Nametrans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
SMILESCOC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)O
InChIInChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1
InChIKeySOSNFEHKRDJYIS-PHDIDXHHSA-N
XLogP-0.16
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.16
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-acetyl-4-oxocyclopentane-1-carboxylic acid
CID 123330818
dimethyl 4,5-dimethylcyclohex-4-ene-1,2-dicarboxylate
CID 3271327
hexamethyl (2S,3R,6R,7S,10S,11R)-1,2,3,4,5,6,7,8,9,10,11,12-dodecahydrotriphenylene-2,3,6,7,10,11-hexacarboxylate
CID 7163303
trans-methyl (1S,2R)-2-ethyl-4-oxocyclopentane-1-carboxylate
CID 57027626
(2S)-2-methoxycarbonyl-5-oxooxane-3-carboxylic acid
CID 70339917
methyl 3-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 130028820
methyl 3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalene-1-carboxylate
CID 121006982
cis-methyl (1R,2S)-2-methyl-4-oxocyclohexane-1-carboxylate
CID 12561750
(1S,2S,4R,5S)-4,5-dihydroxy-2-methoxycarbonylcyclohexane-1-carboxylic acid
CID 10856936
3-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 175573058
tetramethyl (1S,2R,4S,5R)-cyclohexane-1,2,4,5-tetracarboxylate
CID 102016488
dimethyl cyclopropane-1,2-dicarboxylate
CID 2724542

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid (CID 118988969) is trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid is COC(=O)[C@@H]1CC(=O)C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
The InChIKey is SOSNFEHKRDJYIS-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H10O5/c1-13-8(12)6-3-4(9)2-5(6)7(10)11/h5-6H,2-3H2,1H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid has a molecular weight of 186.16 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid is sourced from PubChem (CID 118988969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).