2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid

C14H19NO3 — CID 55071707

IUPAC2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-11(13(16)17)14(18)7-8-15(10-14)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3,(H,16,17)
InChIKeyVMMKHDJLSDHQAX-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.34
Rot. Bonds4

About 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid

2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid (PubChem CID 55071707) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
PubChem CID55071707
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
SMILESCC(C(=O)O)C1(O)CCN(Cc2ccccc2)C1
InChIInChI=1S/C14H19NO3/c1-11(13(16)17)14(18)7-8-15(10-14)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3,(H,16,17)
InChIKeyVMMKHDJLSDHQAX-UHFFFAOYSA-N
XLogP1.34
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-3-(difluoromethyl)pyrrolidin-3-ol
CID 80605715
3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376
ethyl 2-(1-benzyl-3-hydroxypiperidin-3-yl)-2-fluoroacetate
CID 79369064
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
CID 62394914
1-benzyl-4-(2-methylpropyl)piperidin-4-ol
CID 83693176
1-benzyl-4-methylpiperidin-4-ol
CID 10845913
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
2-(1-benzyl-4-hydroxypiperidin-4-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 91162499
(3S)-1,3-dibenzylpyrrolidine-3-carboxylic acid
CID 34180361
(2S)-2-[[(3S)-1-benzyl-3-(trifluoromethyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 124693393
3-amino-1-(2-benzyl-2,8-diazaspiro[4.5]decan-8-yl)butan-1-one
CID 120873764

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid?
The IUPAC name of 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid (CID 55071707) is 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid.
What is the SMILES notation for 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid?
The canonical SMILES for 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid is CC(C(=O)O)C1(O)CCN(Cc2ccccc2)C1.
What is the InChIKey of 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid?
The InChIKey is VMMKHDJLSDHQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-11(13(16)17)14(18)7-8-15(10-14)9-12-5-3-2-4-6-12/h2-6,11,18H,7-10H2,1H3,(H,16,17).
What are the key properties of 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid?
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid is sourced from PubChem (CID 55071707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).