2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid

C10H19NO3 — CID 127020427

IUPAC2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CC(C)C(O)C1
InChIInChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-4-7(3)8(12)5-11/h6-9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyIGNYSUYTGNUCIZ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.41
Rot. Bonds3

About 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid

2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid (PubChem CID 127020427) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid
PubChem CID127020427
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid
SMILESCC(C)C(C(=O)O)N1CC(C)C(O)C1
InChIInChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-4-7(3)8(12)5-11/h6-9,12H,4-5H2,1-3H3,(H,13,14)
InChIKeyIGNYSUYTGNUCIZ-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-3-methylbutanoic acid
CID 42234068
3-methyl-2-(3-propan-2-ylazetidin-1-yl)butanoic acid
CID 79687679
2-(3-azabicyclo[3.1.0]hexan-3-yl)-3-methylbutanoic acid
CID 83817259
2-(2,5-dihydropyrrol-1-yl)-3-methylbutanoic acid
CID 64681029
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-N,N-dimethylpropanamide
CID 127008914
(2R)-3-methyl-2-[(3R)-3-methylpiperidin-1-yl]butanoic acid
CID 42309455
(2S)-3-methyl-2-piperidin-1-ylbutanoic acid
CID 42304661
3-methyl-2-(4-propan-2-ylpiperazin-1-yl)butanoic acid
CID 43585421
(2S)-2-(azepan-1-yl)-3-methylbutanoic acid
CID 42309998
3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylbutanoic acid
CID 79411263
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-2,3-dimethylbutan-1-one
CID 131052536
1-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methyl-2-sulfanylbutan-1-one
CID 130933822

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid?
The IUPAC name of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid (CID 127020427) is 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid.
What is the SMILES notation for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid?
The canonical SMILES for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid is CC(C)C(C(=O)O)N1CC(C)C(O)C1.
What is the InChIKey of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid?
The InChIKey is IGNYSUYTGNUCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6(2)9(10(13)14)11-4-7(3)8(12)5-11/h6-9,12H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid?
2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-4-methylpyrrolidin-1-yl)-3-methylbutanoic acid is sourced from PubChem (CID 127020427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).