2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid

C8H10O4 — CID 82598117

IUPAC2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
SMILESCOC(=O)C1CC12CC2C(=O)O
InChIInChI=1S/C8H10O4/c1-12-7(11)5-3-8(5)2-4(8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyORJMJCRADNZDFC-UHFFFAOYSA-N
MW170.16 g/mol
LogP0.27
Rot. Bonds2

About 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid

2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid (PubChem CID 82598117) has the molecular formula C8H10O4 and a molecular weight of 170.16 g/mol. Its IUPAC name is 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
PubChem CID82598117
Molecular FormulaC8H10O4
Molecular Weight170.16 g/mol
Exact Mass170.06
IUPAC Name2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid
SMILESCOC(=O)C1CC12CC2C(=O)O
InChIInChI=1S/C8H10O4/c1-12-7(11)5-3-8(5)2-4(8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyORJMJCRADNZDFC-UHFFFAOYSA-N
XLogP0.27
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 8-hydroxyspiro[2.5]octane-2-carboxylate
CID 105441117
cis-methyl (1S,2S)-2-ethynyl-2-methylcyclopropane-1-carboxylate
CID 12696061
cis-methyl (1R,2S)-2-(1-fluoroethenyl)-2-methylcyclopropane-1-carboxylate
CID 11435080
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541
(1S,2R,4S)-4-methoxycarbonyl-2,3,3-trimethylcyclopentane-1-carboxylic acid
CID 15539261
methyl spiro[2.6]nonane-2-carboxylate
CID 144510342
trans-methyl (1S,2R)-2-ethyl-2-methylcyclopropane-1-carboxylate
CID 129452445
trans-methyl (1S,2S)-2-ethenyl-2-methylcyclopropane-1-carboxylate
CID 10909650
methyl (1R)-hexaspiro[2.0.34.0.38.0.312.0.316.0.320.03]tricosane-1-carboxylate
CID 139120592
methyl 2-methyl-2-trimethylsilyloxycyclopropane-1-carboxylate
CID 12951415
cis-methyl (1S,2S)-2-fluoro-2-(1-methylcyclopropyl)cyclopropane-1-carboxylate
CID 11298222
methyl (1R)-2,2-dimethoxycyclobutane-1-carboxylate
CID 124705910

Frequently Asked Questions

What is the IUPAC name of 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid?
The IUPAC name of 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid (CID 82598117) is 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid.
What is the SMILES notation for 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid?
The canonical SMILES for 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid is COC(=O)C1CC12CC2C(=O)O.
What is the InChIKey of 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid?
The InChIKey is ORJMJCRADNZDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O4/c1-12-7(11)5-3-8(5)2-4(8)6(9)10/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid?
2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid has a molecular weight of 170.16 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxycarbonylspiro[2.2]pentane-5-carboxylic acid is sourced from PubChem (CID 82598117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).