2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid

C19H26O5 — CID 70108075

IUPAC2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(C(=O)C(C1CCC1)C1CC1C(=O)O)C1CCC1
InChIInChI=1S/C19H26O5/c20-17(15(9-3-1-4-9)11-7-13(11)18(21)22)16(10-5-2-6-10)12-8-14(12)19(23)24/h9-16H,1-8H2,(H,21,22)(H,23,24)
InChIKeyCEVIXRRYXFAIOE-UHFFFAOYSA-N
MW334.41 g/mol
LogP2.83
Rot. Bonds8

About 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid

2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid (PubChem CID 70108075) has the molecular formula C19H26O5 and a molecular weight of 334.41 g/mol. Its IUPAC name is 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid
PubChem CID70108075
Molecular FormulaC19H26O5
Molecular Weight334.41 g/mol
Exact Mass334.18
IUPAC Name2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(C(=O)C(C1CCC1)C1CC1C(=O)O)C1CCC1
InChIInChI=1S/C19H26O5/c20-17(15(9-3-1-4-9)11-7-13(11)18(21)22)16(10-5-2-6-10)12-8-14(12)19(23)24/h9-16H,1-8H2,(H,21,22)(H,23,24)
InChIKeyCEVIXRRYXFAIOE-UHFFFAOYSA-N
XLogP2.83
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1S,2S)-2-(dihydroxymethyl)cyclopropane-1-carboxylic acid
CID 89399959
trans-(1R,2S)-2-propan-2-ylcyclopropane-1-carboxylic acid
CID 59617928
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R,2S,4R,5S)-4,5-dihydroxycyclohexane-1,2-dicarboxylic acid
CID 68905410
(1R)-3-propan-2-ylcyclohexane-1-carboxylic acid
CID 59877468
3,5-bis(1-cyclohexylethyl)-2-hydroxycyclohexane-1-carboxylic acid
CID 140526679
cis-(1R,3S)-3-(1-aminoethyl)cyclohexane-1-carboxylic acid
CID 67863666
trans-(1S,2S)-2-(1-hydroxy-2,2-dimethylpropyl)cyclopropane-1-carboxylic acid
CID 131049067
2-(cyclobutylcarbamoyl)cyclobutane-1-carboxylic acid
CID 130735456
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-1,4-dicarboxylic acid
CID 18691683
cyclohexane-1,3-dicarboxylic acid;hydrochloride
CID 66831314
cis-(1S,2R)-2-cyclobutylcyclopropane-1-carboxylic acid
CID 95788683

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid (CID 70108075) is 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(C(=O)C(C1CCC1)C1CC1C(=O)O)C1CCC1.
What is the InChIKey of 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid?
The InChIKey is CEVIXRRYXFAIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O5/c20-17(15(9-3-1-4-9)11-7-13(11)18(21)22)16(10-5-2-6-10)12-8-14(12)19(23)24/h9-16H,1-8H2,(H,21,22)(H,23,24).
What are the key properties of 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid?
2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid has a molecular weight of 334.41 g/mol, XLogP of 2.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-carboxycyclopropyl)-1,3-di(cyclobutyl)-2-oxopropyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 70108075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).