(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid

C11H18O2 — CID 118422918

IUPAC(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
SMILESCCC(CC)C[C@@H]1C=C(C(=O)O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQOZHUDVCGZIXOV-SECBINFHSA-N
MW182.26 g/mol
LogP2.84
Rot. Bonds5

About (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid

(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid (PubChem CID 118422918) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
PubChem CID118422918
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid
SMILESCCC(CC)C[C@@H]1C=C(C(=O)O)C1
InChIInChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1
InChIKeyQOZHUDVCGZIXOV-SECBINFHSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(2-ethylbutyl)cyclobuten-1-yl] formate
CID 175281554
1-(3-ethylcyclobuten-1-yl)ethanone
CID 130027343
(3S)-3-ethylcyclohexene-1-carboxylic acid
CID 159993912
(3S,4S,5R)-4,5-diamino-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 154639009
(3S)-3-chlorocyclobutene-1-carboxylic acid
CID 134533701
5-pentan-3-yloxy-7-azabicyclo[4.1.0]hept-3-ene-3-carboxylic acid
CID 22328043
3-hydroxy-4,5-dimethylcyclohexene-1-carboxylic acid
CID 59477067
5-amino-4-(3-chloroprop-2-enoylamino)-3-pentan-3-yloxycyclohexene-1-carboxylic acid
CID 78135175
(3R,4R,5S)-4,5-diamino-3-hydroxycyclohexene-1-carboxylic acid
CID 68821914
(3R,4S,5R)-3-deuterio-3,4,5-trihydroxycyclohexene-1-carboxylic acid
CID 59869332
5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
CID 71434284
(3S,4R,5R)-5-amino-3-pentan-3-yloxy-4-[(2,2,2-trideuterioacetyl)amino]cyclohexene-1-carboxylic acid
CID 169445096

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The IUPAC name of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid (CID 118422918) is (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid.
What is the SMILES notation for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The canonical SMILES for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid is CCC(CC)C[C@@H]1C=C(C(=O)O)C1.
What is the InChIKey of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
The InChIKey is QOZHUDVCGZIXOV-SECBINFHSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-8(4-2)5-9-6-10(7-9)11(12)13/h6,8-9H,3-5,7H2,1-2H3,(H,12,13)/t9-/m1/s1.
What are the key properties of (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid?
(3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid has a molecular weight of 182.26 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-ethylbutyl)cyclobutene-1-carboxylic acid is sourced from PubChem (CID 118422918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).