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

C15H23NO3 — CID 102775466

IUPAC1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CC3CCC2C3)C1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-16(14(9)15(18)19)13(17)8-12-7-10-2-3-11(12)6-10/h9-12,14H,2-8H2,1H3,(H,18,19)
InChIKeyIQFQZUYRQTUEAN-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.13
Rot. Bonds3

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

1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102775466) 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]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102775466
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCC1CCN(C(=O)CC2CC3CCC2C3)C1C(=O)O
InChIInChI=1S/C15H23NO3/c1-9-4-5-16(14(9)15(18)19)13(17)8-12-7-10-2-3-11(12)6-10/h9-12,14H,2-8H2,1H3,(H,18,19)
InChIKeyIQFQZUYRQTUEAN-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methylpyrrolidine-3-carboxylic acid
CID 63720456
1-[3-(aminomethyl)-4-methylpiperidin-1-yl]-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 114960312
3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 102775238
(2S,3S)-3-methyl-1-propanoylpyrrolidine-2-carboxylic acid
CID 130192166
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 24704808
1-(4-acetylpiperazin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 78783667
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-bicyclo[2.2.1]heptanyl)ethanone
CID 79867611
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-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
3-methyl-1-[2-(prop-2-enylamino)acetyl]pyrrolidine-2-carboxylic acid
CID 102780415
1-but-3-enoyl-3-methylpyrrolidine-2-carboxylic acid
CID 102775329

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102775466) is 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid is CC1CCN(C(=O)CC2CC3CCC2C3)C1C(=O)O.
What is the InChIKey of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is IQFQZUYRQTUEAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9-4-5-16(14(9)15(18)19)13(17)8-12-7-10-2-3-11(12)6-10/h9-12,14H,2-8H2,1H3,(H,18,19).
What are the key properties of 1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 265.35 g/mol, XLogP of 2.13, 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]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102775466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).