3-hydroxy-2-propan-2-ylpentanoic acid

C8H16O3 — CID 62398643

IUPAC3-hydroxy-2-propan-2-ylpentanoic acid
SMILESCCC(O)C(C(=O)O)C(C)C
InChIInChI=1S/C8H16O3/c1-4-6(9)7(5(2)3)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)
InChIKeyGCNLTMDVZDJCKC-UHFFFAOYSA-N
MW160.21 g/mol
LogP1.11
Rot. Bonds4

About 3-hydroxy-2-propan-2-ylpentanoic acid

3-hydroxy-2-propan-2-ylpentanoic acid (PubChem CID 62398643) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is 3-hydroxy-2-propan-2-ylpentanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-propan-2-ylpentanoic acid
PubChem CID62398643
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name3-hydroxy-2-propan-2-ylpentanoic acid
SMILESCCC(O)C(C(=O)O)C(C)C
InChIInChI=1S/C8H16O3/c1-4-6(9)7(5(2)3)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11)
InChIKeyGCNLTMDVZDJCKC-UHFFFAOYSA-N
XLogP1.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3S)-2,3-di(propan-2-yl)butanedioic acid
CID 95004211
3-hydroxy-6-methylsulfanyl-2-propan-2-ylhexanoic acid
CID 103090352
acetic acid;alumane;3-methyl-2-propan-2-ylbutanoic acid
CID 175060887
5-hydroxy-2,4-dimethylheptanoic acid
CID 59763149
(2S,3R,4S,5R)-4-ethyl-3,5-dihydroxy-2-methylheptanoic acid
CID 54168213
(2S)-2-amino-3-hydroxypentanoic acid;hydrochloride
CID 87786903
(2S,3R)-2-ethyl-3-hydroxy-4-methylpentanoic acid
CID 94427029
magnesium;2-methylpentan-3-ol;dichloride
CID 175030591
acetic acid;bis(butan-2-ol)
CID 139558658
3-(dimethylamino)-2-propan-2-ylhexanoic acid
CID 116913148
(2R,3R)-3-hydroxy-4-methoxy-4-oxo-2-propan-2-ylbutanoic acid
CID 162867940
(4R,5S)-5-hydroxy-4-methylheptan-3-one
CID 10986363

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-propan-2-ylpentanoic acid?
The IUPAC name of 3-hydroxy-2-propan-2-ylpentanoic acid (CID 62398643) is 3-hydroxy-2-propan-2-ylpentanoic acid.
What is the SMILES notation for 3-hydroxy-2-propan-2-ylpentanoic acid?
The canonical SMILES for 3-hydroxy-2-propan-2-ylpentanoic acid is CCC(O)C(C(=O)O)C(C)C.
What is the InChIKey of 3-hydroxy-2-propan-2-ylpentanoic acid?
The InChIKey is GCNLTMDVZDJCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3/c1-4-6(9)7(5(2)3)8(10)11/h5-7,9H,4H2,1-3H3,(H,10,11).
What are the key properties of 3-hydroxy-2-propan-2-ylpentanoic acid?
3-hydroxy-2-propan-2-ylpentanoic acid has a molecular weight of 160.21 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-propan-2-ylpentanoic acid is sourced from PubChem (CID 62398643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).