2-ethyl-3-methyl-2-propan-2-ylpentanoic acid

C11H22O2 — CID 139619790

IUPAC2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
SMILESCCC(C)C(CC)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O2/c1-6-9(5)11(7-2,8(3)4)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyUZQSXMIBJICTAS-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.17
Rot. Bonds5

About 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid

2-ethyl-3-methyl-2-propan-2-ylpentanoic acid (PubChem CID 139619790) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
PubChem CID139619790
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name2-ethyl-3-methyl-2-propan-2-ylpentanoic acid
SMILESCCC(C)C(CC)(C(=O)O)C(C)C
InChIInChI=1S/C11H22O2/c1-6-9(5)11(7-2,8(3)4)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13)
InChIKeyUZQSXMIBJICTAS-UHFFFAOYSA-N
XLogP3.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S,3R)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 91314303
(2S)-2-amino-2-hydroxy-3-methylpentanoic acid
CID 143658078
2-(2-hydroxyethyl)-3-methyl-2-propan-2-ylbutanoic acid
CID 139601458
magnesium;hydride;2,2,3-trimethylpentanoic acid
CID 175225022
N,2-diethyl-3-methyl-2-propan-2-ylbutanamide
CID 141274919
potassium;sodium;2-butan-2-yl-2-methylpropanedioic acid;hydride
CID 174967495
3-ethyl-2-hydroxy-4-methyl-2-propan-2-ylpentanoic acid
CID 79304533
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
(2S)-2-amino-2-ethyl-3-methylbutanoic acid
CID 54561958
methyl 2-ethyl-2,3-dimethylpentanoate
CID 23269301
2-(difluoroamino)-2-fluoro-3-methylpentanoic acid
CID 87110660
2-amino-3-methyl-2-(2-methylpropyl)pentanoic acid
CID 19431547

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid?
The IUPAC name of 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid (CID 139619790) is 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid?
The canonical SMILES for 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid is CCC(C)C(CC)(C(=O)O)C(C)C.
What is the InChIKey of 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid?
The InChIKey is UZQSXMIBJICTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-6-9(5)11(7-2,8(3)4)10(12)13/h8-9H,6-7H2,1-5H3,(H,12,13).
What are the key properties of 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid?
2-ethyl-3-methyl-2-propan-2-ylpentanoic acid has a molecular weight of 186.29 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methyl-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 139619790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).