4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid

C10H19NO3 — CID 82770051

IUPAC4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
SMILESCC1(C)CCN(CC(O)CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-10(2)3-4-11(7-10)6-8(12)5-9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyYGQXKLWBNPZJSQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.55
Rot. Bonds4

About 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid

4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid (PubChem CID 82770051) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid.

Molecular Properties

Compound Name4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
PubChem CID82770051
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid
SMILESCC1(C)CCN(CC(O)CC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-10(2)3-4-11(7-10)6-8(12)5-9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14)
InChIKeyYGQXKLWBNPZJSQ-UHFFFAOYSA-N
XLogP0.55
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-yl)-3-hydroxybutanoic acid
CID 82774888
1-(2,6-dimethylmorpholin-4-yl)-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489909
3-hydroxy-4-morpholin-4-ylbutanoic acid
CID 79006775
1-cyclopentyl-2-(3,3-dimethylpyrrolidin-1-yl)ethanol
CID 104753013
3-hydroxy-4-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]butanoic acid
CID 82770780
1-[benzyl(methyl)amino]-3-(3,3-dimethylpyrrolidin-1-yl)propan-2-ol
CID 111489897
4-(4-ethoxycarbonylpiperazin-1-yl)-3-hydroxybutanoic acid
CID 114011847
3,3-dimethyl-1-(2-propylpentyl)pyrrolidine
CID 123859198
ethyl 3-hydroxy-4-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]butanoate
CID 106318945
1-(3-fluoro-2-hydroxypropyl)-3-methylpyrrolidin-3-ol
CID 131140409
2-amino-3-(4,4-dimethylpiperidin-1-yl)propanoic acid
CID 62932657
1-(3,3-dimethylazepan-1-yl)propan-2-ol
CID 131175747

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid?
The IUPAC name of 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid (CID 82770051) is 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid.
What is the SMILES notation for 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid?
The canonical SMILES for 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid is CC1(C)CCN(CC(O)CC(=O)O)C1.
What is the InChIKey of 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid?
The InChIKey is YGQXKLWBNPZJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)3-4-11(7-10)6-8(12)5-9(13)14/h8,12H,3-7H2,1-2H3,(H,13,14).
What are the key properties of 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid?
4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylpyrrolidin-1-yl)-3-hydroxybutanoic acid is sourced from PubChem (CID 82770051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).