cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid

C17H24O6 — CID 70628385

IUPACcyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid
SMILESC1CC1.C1CC1.COC(=O)c1occ(C(=O)C(C)C)c1C(=O)O
InChIInChI=1S/C11H12O6.2C3H6/c1-5(2)8(12)6-4-17-9(11(15)16-3)7(6)10(13)14;2*1-2-3-1/h4-5H,1-3H3,(H,13,14);2*1-3H2
InChIKeyPWBRRCVPWDJIQD-UHFFFAOYSA-N
MW324.37 g/mol
LogP3.94
Rot. Bonds4

About cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid

cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid (PubChem CID 70628385) has the molecular formula C17H24O6 and a molecular weight of 324.37 g/mol. Its IUPAC name is cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid.

Molecular Properties

Compound Namecyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid
PubChem CID70628385
Molecular FormulaC17H24O6
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Namecyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid
SMILESC1CC1.C1CC1.COC(=O)c1occ(C(=O)C(C)C)c1C(=O)O
InChIInChI=1S/C11H12O6.2C3H6/c1-5(2)8(12)6-4-17-9(11(15)16-3)7(6)10(13)14;2*1-2-3-1/h4-5H,1-3H3,(H,13,14);2*1-3H2
InChIKeyPWBRRCVPWDJIQD-UHFFFAOYSA-N
XLogP3.94
TPSA93.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4R,6S,12R)-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-triene-15-carbaldehyde
CID 44583997
[(2S,4R,6S,10S,12R)-15-formyl-4-methyl-8-oxo-12-prop-1-en-2-yl-3,7,17-trioxatetracyclo[12.2.1.16,9.02,4]octadeca-1(16),9(18),14-trien-10-yl] acetate
CID 145950228
Deoxylophotoxin
CID 44296241
Pukalide Aldehyde
CID 44296102
NCGC00380989-01_C21H22O7_3H-Furo[4,3,2-de]indeno[4,5-h]-2-benzopyran-3,6,9-trione, 1,6b,7,8,9a,10,11,11b-octahydro-11-hydroxy-1-(methoxymethyl)-9a,11b-dimethyl-, (1S,6bR,9aS,11R,11bR)-
CID 59081334
Triethyl furan-2,3,4-tricarboxylate
CID 248760
(1R,3R,5S,9R,18S)-3-hydroxy-18-(methoxymethyl)-1,5-dimethyl-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-triene-6,11,16-trione
CID 10475228
3-Carboxy-4-methyl-5-(1-hydroxypropyl)-2-furanpropionic acid
CID 129725053
4,7-Benzofurandione, 3-(hydroxymethyl)-6-methoxy-5-(3-methyl-2-butenyl)-
CID 621005
5-(Methoxycarbonyl)-2-methylfuran-3-carboxylic acid
CID 18444677
2-(Carboxymethyl)-4-methylfuran-3-carboxylic acid
CID 19736681
3-(4-Chlorophenyl)naphth(2,3-d)isoxazole-4,9-dione
CID 54686232

Frequently Asked Questions

What is the IUPAC name of cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid?
The IUPAC name of cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid (CID 70628385) is cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid.
What is the SMILES notation for cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid?
The canonical SMILES for cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid is C1CC1.C1CC1.COC(=O)c1occ(C(=O)C(C)C)c1C(=O)O.
What is the InChIKey of cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid?
The InChIKey is PWBRRCVPWDJIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O6.2C3H6/c1-5(2)8(12)6-4-17-9(11(15)16-3)7(6)10(13)14;2*1-2-3-1/h4-5H,1-3H3,(H,13,14);2*1-3H2.
What are the key properties of cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid?
cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid has a molecular weight of 324.37 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropane;2-methoxycarbonyl-4-(2-methylpropanoyl)furan-3-carboxylic acid is sourced from PubChem (CID 70628385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).