2-(cyclobutylmethyl)-2-propylpropanedioic acid

C11H18O4 — CID 174560392

IUPAC2-(cyclobutylmethyl)-2-propylpropanedioic acid
SMILESCCCC(CC1CCC1)(C(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-2-6-11(9(12)13,10(14)15)7-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyIZTCZMOWJDFFQN-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.13
Rot. Bonds6

About 2-(cyclobutylmethyl)-2-propylpropanedioic acid

2-(cyclobutylmethyl)-2-propylpropanedioic acid (PubChem CID 174560392) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-2-propylpropanedioic acid.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-2-propylpropanedioic acid
PubChem CID174560392
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name2-(cyclobutylmethyl)-2-propylpropanedioic acid
SMILESCCCC(CC1CCC1)(C(=O)O)C(=O)O
InChIInChI=1S/C11H18O4/c1-2-6-11(9(12)13,10(14)15)7-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,13)(H,14,15)
InChIKeyIZTCZMOWJDFFQN-UHFFFAOYSA-N
XLogP2.13
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(cyclohexylmethyl)-2-ethoxycarbonylpentanoic acid
CID 103974066
2-(cyclobutylmethyl)-2-ethylhexanoic acid
CID 79425365
2-carbonobromidoyl-2-propylpentanoic acid
CID 21328881
magnesium;2,2-dipropylpropanedioic acid;hydride
CID 174967790
2-[cyclobutylmethyl(methyl)amino]-2-propylpentanoic acid
CID 114996932
2-(cyclobutylmethyl)-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pentanoic acid
CID 106488417
2-cyclobutyl-2-hydroxypentanoic acid
CID 83051264
2-(cyclopentylmethyl)-2-methylbutanoic acid
CID 62740428
3-oxo-2,2-dipropylpentanoic acid
CID 175535849
2-(cyclopropylmethyl)-2-ethoxycarbonylbutanoic acid
CID 103974369
2-[[cyclobutylmethyl(ethyl)amino]methyl]-2-methylpentanoic acid
CID 107401707
2-[[4-(2-carboxy-2-ethylhexyl)cyclohexyl]methyl]-2-ethylhexanoic acid
CID 70237933

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-2-propylpropanedioic acid?
The IUPAC name of 2-(cyclobutylmethyl)-2-propylpropanedioic acid (CID 174560392) is 2-(cyclobutylmethyl)-2-propylpropanedioic acid.
What is the SMILES notation for 2-(cyclobutylmethyl)-2-propylpropanedioic acid?
The canonical SMILES for 2-(cyclobutylmethyl)-2-propylpropanedioic acid is CCCC(CC1CCC1)(C(=O)O)C(=O)O.
What is the InChIKey of 2-(cyclobutylmethyl)-2-propylpropanedioic acid?
The InChIKey is IZTCZMOWJDFFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-2-6-11(9(12)13,10(14)15)7-8-4-3-5-8/h8H,2-7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-(cyclobutylmethyl)-2-propylpropanedioic acid?
2-(cyclobutylmethyl)-2-propylpropanedioic acid has a molecular weight of 214.26 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-2-propylpropanedioic acid is sourced from PubChem (CID 174560392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).