2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid

C11H20N2O3 — CID 61370340

IUPAC2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCCNC(=O)CN1CCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-5-12-10(14)8-13-6-3-4-9(13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyUPPUFPSPNOFGBX-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.45
Rot. Bonds6

About 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid

2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370340) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370340
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid
SMILESCCCNC(=O)CN1CCCC1CC(=O)O
InChIInChI=1S/C11H20N2O3/c1-2-5-12-10(14)8-13-6-3-4-9(13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16)
InChIKeyUPPUFPSPNOFGBX-UHFFFAOYSA-N
XLogP0.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[2-oxo-2-(propylcarbamoylamino)ethyl]pyrrolidin-2-yl]acetic acid
CID 61370516
2-[(2S)-1-[2-(2-methylpropylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 93438414
2-[(2S)-1-[3-(hexanoylamino)propyl]pyrrolidin-2-yl]acetic acid
CID 24762741
2-[1-[2-(2-acetylhydrazinyl)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899300
1-[2-oxo-2-(propylamino)ethyl]azepane-2-carboxylic acid
CID 64564538
2-[1-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899533
N-(2-methoxyethyl)-2-[2-(2-oxopropyl)pyrrolidin-1-yl]acetamide
CID 79546583
3-[3-[[2-[2-(dimethylamino(113C)methyl)(2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino]propanoylamino](113C)propanoic acid
CID 129148345
3-[(2R)-2-ethylpyrrolidin-1-yl]-N-propylpropanamide
CID 166035351
2-(2-ethylpiperidin-1-yl)-N-(2-hydroxyethyl)acetamide
CID 43509674
2-[1-[2-(carbamoylamino)-2-oxoethyl]piperidin-2-yl]acetic acid
CID 54899672
butane;4-[4-[[2-[2-[(4-methyl-(115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](213C)butanoylamino](213C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](113C)butanoyl(15N)amino](113C)butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4)azolidin-1-yl]acetyl](15N)amino]butanoyl(15N)amino]butanoic acid;4-[4-[[2-[2-[(4-methyl-(5,6-13C2,115N)1,4-diazinan-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl]amino](1,2-13C2)butanoylamino]butanoic acid;4-[4-[[2-[2-[(4-methylpiperazin-1-yl)(113C)methyl](2,3,4,5-13C4,115N)azolidin-1-yl]acetyl](15N)amino](1,2,3-13C3)butanoylamino]butanoic acid
CID 159342798

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid (CID 61370340) is 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid is CCCNC(=O)CN1CCCC1CC(=O)O.
What is the InChIKey of 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is UPPUFPSPNOFGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-2-5-12-10(14)8-13-6-3-4-9(13)7-11(15)16/h9H,2-8H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 228.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-oxo-2-(propylamino)ethyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).