2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H24N2O3 — CID 79608500

IUPAC2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)CCNC1CC1
InChIInChI=1S/C15H24N2O3/c18-14(5-6-16-11-1-2-11)17-12-3-4-13(17)8-10(7-12)9-15(19)20/h10-13,16H,1-9H2,(H,19,20)
InChIKeyHPVWODHSDFRSCY-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.37
Rot. Bonds6

About 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 79608500) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID79608500
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESO=C(O)CC1CC2CCC(C1)N2C(=O)CCNC1CC1
InChIInChI=1S/C15H24N2O3/c18-14(5-6-16-11-1-2-11)17-12-3-4-13(17)8-10(7-12)9-15(19)20/h10-13,16H,1-9H2,(H,19,20)
InChIKeyHPVWODHSDFRSCY-UHFFFAOYSA-N
XLogP1.37
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[8-[2-(azetidin-3-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608873
2-(8-but-3-enoyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79614997
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-[8-[3-(2,2-difluoroethoxy)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103206126
2-[8-(2,2,2-trifluoroethylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608109
2-[8-(tert-butylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608579
2-[8-[2-(cyanomethylsulfanyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79614722
2-[8-[2-(cyclohexen-1-yl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79611872
2-[8-[2-(carbamoylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615220
2-[8-[2-(2,2,2-trifluoroethoxy)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 103206125
2-[8-(but-3-ynylcarbamoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79606674
2-[8-[(E)-4-aminobut-2-enoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 112746836

Frequently Asked Questions

What is the IUPAC name of 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 79608500) is 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is O=C(O)CC1CC2CCC(C1)N2C(=O)CCNC1CC1.
What is the InChIKey of 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is HPVWODHSDFRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c18-14(5-6-16-11-1-2-11)17-12-3-4-13(17)8-10(7-12)9-15(19)20/h10-13,16H,1-9H2,(H,19,20).
What are the key properties of 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 280.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[3-(cyclopropylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 79608500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).