4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid

C14H24N2O3 — CID 79615753

IUPAC4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O3/c1-9(2-5-14(18)19)15-13(17)8-10-6-11-3-4-12(7-10)16-11/h9-12,16H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyNJALZHCIPULFGT-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.28
Rot. Bonds6

About 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid

4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid (PubChem CID 79615753) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
PubChem CID79615753
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C14H24N2O3/c1-9(2-5-14(18)19)15-13(17)8-10-6-11-3-4-12(7-10)16-11/h9-12,16H,2-8H2,1H3,(H,15,17)(H,18,19)
InChIKeyNJALZHCIPULFGT-UHFFFAOYSA-N
XLogP1.28
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-butan-2-ylacetamide
CID 79608095
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(dimethylamino)butan-2-yl]acetamide
CID 79607442
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-[(1R,5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-[(2S)-1-methylsulfanylpropan-2-yl]acetamide
CID 124592903
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methylsulfonylpropan-2-yl)acetamide
CID 79614755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]acetamide;dihydrochloride
CID 119863526
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-hydroxy-4-phenylbutan-2-yl)acetamide;hydrochloride
CID 119808311
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-ethylpropanamide
CID 79607169
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide
CID 79610533
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methylpentanoic acid
CID 79607263
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-butan-2-ylpropanamide;hydrochloride
CID 119737591

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid (CID 79615753) is 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid?
The InChIKey is NJALZHCIPULFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-9(2-5-14(18)19)15-13(17)8-10-6-11-3-4-12(7-10)16-11/h9-12,16H,2-8H2,1H3,(H,15,17)(H,18,19).
What are the key properties of 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid?
4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid has a molecular weight of 268.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 79615753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).