2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

C15H26N2O4 — CID 81092830

IUPAC2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCOCCCC(N)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H26N2O4/c1-21-6-2-3-13(16)15(20)17-11-4-5-12(17)8-10(7-11)9-14(18)19/h10-13H,2-9,16H2,1H3,(H,18,19)
InChIKeyUUVWLHAJVYSNDY-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.98
Rot. Bonds7

About 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid

2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (PubChem CID 81092830) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
PubChem CID81092830
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
SMILESCOCCCC(N)C(=O)N1C2CCC1CC(CC(=O)O)C2
InChIInChI=1S/C15H26N2O4/c1-21-6-2-3-13(16)15(20)17-11-4-5-12(17)8-10(7-11)9-14(18)19/h10-13H,2-9,16H2,1H3,(H,18,19)
InChIKeyUUVWLHAJVYSNDY-UHFFFAOYSA-N
XLogP0.98
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[8-(2-aminopentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79609229
2-[1-(2-amino-5-methoxypentanoyl)azetidin-3-yl]acetic acid
CID 81101945
2-[8-[(2R)-2-aminobutanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79608726
2-amino-1-(2,6-dimethylpiperidin-1-yl)-5-methoxypentan-1-one
CID 81081732
2-[8-[2-(carbamoylamino)propanoyl]-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615220
2-[4-(2-amino-5-methoxypentanoyl)morpholin-3-yl]acetic acid
CID 81100894
2-amino-5-methoxy-1-(4-methoxy-2-methylpiperidin-1-yl)pentan-1-one
CID 114220995
2-[8-(2-propan-2-ylsulfanylacetyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid
CID 79615508
2-(8-propan-2-yloxycarbonyl-8-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 79608218
2-cyclopropylethyl 2-amino-5-methoxypentanoate
CID 106202545
2-amino-5-methoxypentanoic acid
CID 18361135
2-amino-1-[3-(2-hydroxyethyl)pyrrolidin-1-yl]-5-methoxypentan-1-one
CID 114797556

Frequently Asked Questions

What is the IUPAC name of 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The IUPAC name of 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid (CID 81092830) is 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid.
What is the SMILES notation for 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The canonical SMILES for 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is COCCCC(N)C(=O)N1C2CCC1CC(CC(=O)O)C2.
What is the InChIKey of 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
The InChIKey is UUVWLHAJVYSNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-6-2-3-13(16)15(20)17-11-4-5-12(17)8-10(7-11)9-14(18)19/h10-13H,2-9,16H2,1H3,(H,18,19).
What are the key properties of 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid?
2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid has a molecular weight of 298.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(2-amino-5-methoxypentanoyl)-8-azabicyclo[3.2.1]octan-3-yl]acetic acid is sourced from PubChem (CID 81092830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).