3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid

C10H19NO3 — CID 114798284

IUPAC3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(CCO)C1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-11)3-5-12/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCVHDRBOUAOTKOE-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.41
Rot. Bonds5

About 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid (PubChem CID 114798284) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
PubChem CID114798284
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid
SMILESCC(CN1CCC(CCO)C1)C(=O)O
InChIInChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-11)3-5-12/h8-9,12H,2-7H2,1H3,(H,13,14)
InChIKeyCVHDRBOUAOTKOE-UHFFFAOYSA-N
XLogP0.41
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanehydrazide
CID 114801954
2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanol
CID 83981105
3-[4-(hydroxymethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 43538757
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596
2-[1-(2-ethylbutyl)pyrrolidin-3-yl]ethanol
CID 115875415
2-amino-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propanamide
CID 114798245
2-[1-[3-methyl-2-(sulfanylmethyl)butyl]pyrrolidin-3-yl]ethanol
CID 114802743
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propanoic acid
CID 63009103
ethyl 3-hydroxy-4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]butanoate
CID 114798276
3-[4-(acetamidomethyl)piperidin-1-yl]-2-methylpropanoic acid
CID 102736543
2-[1-(2-ethylhexyl)pyrrolidin-3-yl]ethanol
CID 104627914
3-[ethyl-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-2-methylpropanoic acid
CID 114798871

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid (CID 114798284) is 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid is CC(CN1CCC(CCO)C1)C(=O)O.
What is the InChIKey of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid?
The InChIKey is CVHDRBOUAOTKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(10(13)14)6-11-4-2-9(7-11)3-5-12/h8-9,12H,2-7H2,1H3,(H,13,14).
What are the key properties of 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid?
3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid has a molecular weight of 201.27 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-2-methylpropanoic acid is sourced from PubChem (CID 114798284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).