2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H22N2O4 — CID 79612484

IUPAC2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)CN1CCCC1=O
InChIInChI=1S/C15H22N2O4/c18-13-2-1-5-16(13)9-14(19)17-11-3-4-12(17)7-10(6-11)8-15(20)21/h10-12H,1-9H2,(H,20,21)
InChIKeyXPWXBTQRUCLSGB-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.85
Rot. Bonds4

About 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79612484) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79612484
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)CN1CCCC1=O
InChIInChI=1S/C15H22N2O4/c18-13-2-1-5-16(13)9-14(19)17-11-3-4-12(17)7-10(6-11)8-15(20)21/h10-12H,1-9H2,(H,20,21)
InChIKeyXPWXBTQRUCLSGB-UHFFFAOYSA-N
XLogP0.85
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic 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

2-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
CID 61370469
2-[8-[2-(cyclohexen-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611872
2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
2-(8-but-3-enoyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79614997
1-[2-(2-oxopyrrolidin-1-yl)acetyl]piperidine-4-carboxamide
CID 110689906
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-[8-[2-(cyanomethylsulfanyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79614722
1-[2-(3,4-dihydroxypyrrolidin-1-yl)-2-oxoethyl]pyrrolidin-2-one
CID 106671974
2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608500
(1S,14S)-17-[2-(2-oxopyrrolidin-1-yl)acetyl]-3,11,17-triazatetracyclo[12.2.1.03,12.05,10]heptadeca-5,7,9,11-tetraen-4-one
CID 98058488
2-(2-oxopyrrolidin-1-yl)ethanethioic S-acid
CID 57303794
4-hydroxy-1-[2-(2-oxopyrrolidin-1-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 43211150

Frequently Asked Questions

What is the IUPAC name of 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79612484) is 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)CN1CCCC1=O.
What is the InChIKey of 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is XPWXBTQRUCLSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-13-2-1-5-16(13)9-14(19)17-11-3-4-12(17)7-10(6-11)8-15(20)21/h10-12H,1-9H2,(H,20,21).
What are the key properties of 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[2-(2-oxopyrrolidin-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79612484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).