3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid

C11H18N2O3 — CID 63175257

IUPAC3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(7-11(15)16)13-6-3-9(8-13)12-4-1-2-5-12/h9H,1-8H2,(H,15,16)
InChIKeyLTYDJHUUHGTBHD-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.16
Rot. Bonds3

About 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid

3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid (PubChem CID 63175257) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
PubChem CID63175257
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid
SMILESO=C(O)CC(=O)N1CCC(N2CCCC2)C1
InChIInChI=1S/C11H18N2O3/c14-10(7-11(15)16)13-6-3-9(8-13)12-4-1-2-5-12/h9H,1-8H2,(H,15,16)
InChIKeyLTYDJHUUHGTBHD-UHFFFAOYSA-N
XLogP0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-oxo-5-(3-piperidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 63168015
6-oxo-6-(3-piperidin-1-ylpyrrolidin-1-yl)hexanoic acid
CID 63168060
(3R)-3-pyrrolidin-1-ylpyrrolidine-1-carboxylic acid
CID 68628166
2-amino-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone;dihydrochloride
CID 119877838
2-(dimethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 110479818
2-(ethylamino)-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethanone
CID 63167256
1-(3-pyrrolidin-1-ylpiperidin-1-yl)butane-1,3-dione
CID 54876488
1-[2-oxo-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 63168585
3-[methyl-(3-piperidin-1-ylpyrrolidine-1-carbonyl)amino]propanoic acid
CID 63548492
2-[[2-[(3-pyrrolidin-1-ylpyrrolidine-1-carbonyl)amino]acetyl]amino]acetic acid
CID 63547793
2-(azetidin-3-yl)-1-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone
CID 64612264
2-[2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-oxoethyl]sulfanylacetic acid
CID 104569543

Frequently Asked Questions

What is the IUPAC name of 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The IUPAC name of 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid (CID 63175257) is 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid is O=C(O)CC(=O)N1CCC(N2CCCC2)C1.
What is the InChIKey of 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
The InChIKey is LTYDJHUUHGTBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c14-10(7-11(15)16)13-6-3-9(8-13)12-4-1-2-5-12/h9H,1-8H2,(H,15,16).
What are the key properties of 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid?
3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid has a molecular weight of 226.28 g/mol, XLogP of 0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-3-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 63175257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).