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

C15H24N2O3 — CID 63683765

IUPAC2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H24N2O3/c18-14(19)8-13-2-1-5-17(13)15(20)16-9-12-7-10-3-4-11(12)6-10/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyRHUZJETVWHMFDT-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.07
Rot. Bonds4

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

2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid (PubChem CID 63683765) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
PubChem CID63683765
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)NCC1CC2CCC1C2
InChIInChI=1S/C15H24N2O3/c18-14(19)8-13-2-1-5-17(13)15(20)16-9-12-7-10-3-4-11(12)6-10/h10-13H,1-9H2,(H,16,20)(H,18,19)
InChIKeyRHUZJETVWHMFDT-UHFFFAOYSA-N
XLogP2.07
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[(1-methylpyrrolidin-2-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114137800
2-[1-[(2-methyloxolan-3-yl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 114106684
2-[1-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 79350157
2-[1-(cyclobutylmethylcarbamoyl)piperidin-2-yl]acetic acid
CID 61197423
2-[4-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)morpholin-2-yl]acetic acid
CID 66433923
2-[1-(prop-2-enylcarbamoyl)pyrrolidin-2-yl]acetic acid
CID 61372720
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746
2-[(1S,4R)-2-bicyclo[2.2.1]heptanyl]acetic acid
CID 11457802
2-[1-[3-(methylamino)propylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 61404883
2-[1-[2-(dimethylcarbamoylamino)ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 83114337
2-[1-[2-[cyclopropyl(methyl)amino]ethylcarbamoyl]pyrrolidin-2-yl]acetic acid
CID 62978547
3-[1-[2-(2-bicyclo[2.2.1]heptanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216258

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid (CID 63683765) is 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)NCC1CC2CCC1C2.
What is the InChIKey of 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
The InChIKey is RHUZJETVWHMFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(19)8-13-2-1-5-17(13)15(20)16-9-12-7-10-3-4-11(12)6-10/h10-13H,1-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid?
2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-bicyclo[2.2.1]heptanylmethylcarbamoyl)pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 63683765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).