1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid

C15H23NO3 — CID 63720456

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC2CC3CCC2C3)CC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-16(8-13(9)15(18)19)14(17)6-12-5-10-2-3-11(12)4-10/h9-13H,2-8H2,1H3,(H,18,19)
InChIKeyGJBHBNRCXGCXBG-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.99
Rot. Bonds3

About 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid

1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid (PubChem CID 63720456) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
PubChem CID63720456
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
SMILESCC1CN(C(=O)CC2CC3CCC2C3)CC1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-7-16(8-13(9)15(18)19)14(17)6-12-5-10-2-3-11(12)4-10/h9-13H,2-8H2,1H3,(H,18,19)
InChIKeyGJBHBNRCXGCXBG-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic 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-(2-bicyclo[2.2.1]heptanyl)-1-(3,5-dimethylpiperazin-1-yl)ethanone
CID 63861531
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 79867611
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 114960312
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102775466
2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079735
2-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-piperidin-1-ylethanone
CID 98079737
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-chloropyrrolidin-1-yl)ethanone
CID 63398230
2-(2-bicyclo[2.2.1]heptanyl)-1-(3-ethyl-4-hydroxypiperidin-1-yl)ethanone
CID 114509915
4-methyl-1-(2-piperidin-4-ylacetyl)pyrrolidine-3-carboxylic acid
CID 63719518
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
1-[(3R)-3-aminopiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 102978450

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid (CID 63720456) is 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid is CC1CN(C(=O)CC2CC3CCC2C3)CC1C(=O)O.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
The InChIKey is GJBHBNRCXGCXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-7-16(8-13(9)15(18)19)14(17)6-12-5-10-2-3-11(12)4-10/h9-13H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid?
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63720456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).