2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid

C13H20N2O4 — CID 79848389

IUPAC2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCN1CC(C(=O)NC2(CC(=O)O)CCC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-15-8-9(6-10(15)16)12(19)14-13(4-3-5-13)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyQJDXCWWGCUKUPH-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.37
Rot. Bonds5

About 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid

2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid (PubChem CID 79848389) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid.

Molecular Properties

Compound Name2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
PubChem CID79848389
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid
SMILESCCN1CC(C(=O)NC2(CC(=O)O)CCC2)CC1=O
InChIInChI=1S/C13H20N2O4/c1-2-15-8-9(6-10(15)16)12(19)14-13(4-3-5-13)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyQJDXCWWGCUKUPH-UHFFFAOYSA-N
XLogP0.37
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid with MolForge

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Related Compounds

2-[1-[[(3R)-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 129466521
2-[1-[[1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]cyclobutyl]acetic acid
CID 119217840
1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylcyclohexane-1-carboxylic acid
CID 61294502
2-[1-(cyclopentanecarbonylamino)cyclobutyl]acetic acid
CID 79849092
N-[1-(hydroxymethyl)cyclopentyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 62519112
2-[4-[[1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbonyl]amino]oxan-4-yl]acetic acid
CID 119214831
(3S)-N-[1-(3-bromophenyl)cyclobutyl]-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 95580520
N-[1-(aminomethyl)cyclopentyl]-1-[2-(dimethylamino)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 119566707
2-ethyl-2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]butanoic acid
CID 79806546
1-cyclopentyl-N-[1-(hydroxymethyl)cyclobutyl]-5-oxopyrrolidine-3-carboxamide
CID 115877939
N-[1-(hydroxymethyl)cyclopropyl]-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 115877696
2-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]-2-methylbutanoic acid
CID 79793392

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid?
The IUPAC name of 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid (CID 79848389) is 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid.
What is the SMILES notation for 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid?
The canonical SMILES for 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid is CCN1CC(C(=O)NC2(CC(=O)O)CCC2)CC1=O.
What is the InChIKey of 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid?
The InChIKey is QJDXCWWGCUKUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-2-15-8-9(6-10(15)16)12(19)14-13(4-3-5-13)7-11(17)18/h9H,2-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid?
2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid has a molecular weight of 268.31 g/mol, XLogP of 0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1-ethyl-5-oxopyrrolidine-3-carbonyl)amino]cyclobutyl]acetic acid is sourced from PubChem (CID 79848389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).