2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid

C15H20N2O3 — CID 79331651

IUPAC2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20N2O3/c18-14(19)9-17-5-1-2-13(17)15(20)16-8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,16,20)(H,18,19)
InChIKeySALQZOPZIOEXEV-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.74
Rot. Bonds5

About 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid

2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid (PubChem CID 79331651) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid
PubChem CID79331651
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid
SMILESO=C(O)Cn1cccc1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H20N2O3/c18-14(19)9-17-5-1-2-13(17)15(20)16-8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,16,20)(H,18,19)
InChIKeySALQZOPZIOEXEV-UHFFFAOYSA-N
XLogP1.74
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-3-N-[[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methyl]benzene-1,3-dicarboxamide
CID 98155306
2-[2-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethylcarbamoyl)pyrrol-1-yl]acetic acid
CID 79322525
N-[[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]methyl]thiophene-2-carboxamide
CID 98153739
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-phenylurea
CID 4682793
1-[2-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
CID 79323893
2-[2-[(3-amino-3-oxopropyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325586
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)benzamide
CID 63683122
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-hydroxy-3-methylbenzamide
CID 103956855
2-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-phenylacetamide
CID 55232631
2-[2-[(1-methylpiperidin-4-yl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79324781
3-amino-N-(2-bicyclo[2.2.1]heptanylmethyl)-2-methylbenzamide
CID 63687523
N-(2-bicyclo[2.2.1]heptanylmethyl)-4-fluoro-2-methylbenzamide
CID 112702559

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid (CID 79331651) is 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid is O=C(O)Cn1cccc1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid?
The InChIKey is SALQZOPZIOEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-14(19)9-17-5-1-2-13(17)15(20)16-8-12-7-10-3-4-11(12)6-10/h1-2,5,10-12H,3-4,6-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid?
2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid has a molecular weight of 276.34 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrol-1-yl]acetic acid is sourced from PubChem (CID 79331651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).