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

C16H26N2O3 — CID 63145468

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CC2CCC1C2
InChIInChI=1S/C16H26N2O3/c1-10(13-8-11-3-4-12(13)7-11)17-15(21)18-6-5-16(2,9-18)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRHWOJTHOTPWQTJ-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.32
Rot. Bonds3

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

1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (PubChem CID 63145468) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
PubChem CID63145468
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
SMILESCC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CC2CCC1C2
InChIInChI=1S/C16H26N2O3/c1-10(13-8-11-3-4-12(13)7-11)17-15(21)18-6-5-16(2,9-18)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,21)(H,19,20)
InChIKeyRHWOJTHOTPWQTJ-UHFFFAOYSA-N
XLogP2.32
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]azepane-1-carboxamide
CID 115583046
1-(1-cyclohexylethylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147981
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98126823
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylcyclohexane-1-carboxamide
CID 98219100
1-(but-3-yn-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 114418629
1-(3,3-difluorobutan-2-ylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 122080139
[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]urea
CID 98054797
(2S,4S)-1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714969
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015232
1-[cyclopropyl(2-methylpropyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 55165966
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-morpholin-4-yl-2-oxoacetamide
CID 108509773
1-(cyclooctylcarbamoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146003

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid (CID 63145468) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is CC(NC(=O)N1CCC(C)(C(=O)O)C1)C1CC2CCC1C2.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
The InChIKey is RHWOJTHOTPWQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-10(13-8-11-3-4-12(13)7-11)17-15(21)18-6-5-16(2,9-18)14(19)20/h10-13H,3-9H2,1-2H3,(H,17,21)(H,19,20).
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid has a molecular weight of 294.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63145468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).