2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid

C20H30O4 — CID 151505965

IUPAC2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
SMILESO=C(O)C(CC1CC2CCC1C2)C(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C20H30O4/c21-19(22)17(9-15-7-11-1-3-13(15)5-11)18(20(23)24)10-16-8-12-2-4-14(16)6-12/h11-18H,1-10H2,(H,21,22)(H,23,24)
InChIKeyPRKQAMZVPYKRTF-UHFFFAOYSA-N
MW334.46 g/mol
LogP4.04
Rot. Bonds7

About 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid

2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid (PubChem CID 151505965) has the molecular formula C20H30O4 and a molecular weight of 334.46 g/mol. Its IUPAC name is 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
PubChem CID151505965
Molecular FormulaC20H30O4
Molecular Weight334.46 g/mol
Exact Mass334.21
IUPAC Name2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid
SMILESO=C(O)C(CC1CC2CCC1C2)C(CC1CC2CCC1C2)C(=O)O
InChIInChI=1S/C20H30O4/c21-19(22)17(9-15-7-11-1-3-13(15)5-11)18(20(23)24)10-16-8-12-2-4-14(16)6-12/h11-18H,1-10H2,(H,21,22)(H,23,24)
InChIKeyPRKQAMZVPYKRTF-UHFFFAOYSA-N
XLogP4.04
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-bicyclo[2.2.1]heptanylmethyl)-3,3-dimethylbutanoic acid
CID 83139469
2-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpentanoic acid
CID 79558834
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
dipropan-2-yl 2-(2-bicyclo[2.2.1]heptanylmethyl)propanedioate
CID 103972716
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
3-(2-bicyclo[2.2.1]heptanyl)-2-fluoropropan-1-amine
CID 112562649
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
2-(2-bicyclo[2.2.1]heptanylmethyl)-3-(3-fluorophenyl)propanoic acid
CID 79558031
(E)-4-(2-bicyclo[2.2.1]heptanylmethylamino)but-2-enoic acid
CID 103250955
3-(2-bicyclo[2.2.1]heptanylmethylamino)-2-methylpropanoic acid
CID 63682304
(Z)-7-(2-bicyclo[2.2.1]heptanyl)hept-5-enoic acid
CID 70511264

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid?
The IUPAC name of 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid (CID 151505965) is 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid.
What is the SMILES notation for 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid?
The canonical SMILES for 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid is O=C(O)C(CC1CC2CCC1C2)C(CC1CC2CCC1C2)C(=O)O.
What is the InChIKey of 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid?
The InChIKey is PRKQAMZVPYKRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4/c21-19(22)17(9-15-7-11-1-3-13(15)5-11)18(20(23)24)10-16-8-12-2-4-14(16)6-12/h11-18H,1-10H2,(H,21,22)(H,23,24).
What are the key properties of 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid?
2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid has a molecular weight of 334.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(2-bicyclo[2.2.1]heptanylmethyl)butanedioic acid is sourced from PubChem (CID 151505965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).