2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid

C15H26N2O4 — CID 81084212

IUPAC2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-6-2-3-13(15(19)20)17-14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNDSJLAPKJODVQN-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.90
Rot. Bonds8

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

2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid (PubChem CID 81084212) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
PubChem CID81084212
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)CC1CC2CCC(C1)N2)C(=O)O
InChIInChI=1S/C15H26N2O4/c1-21-6-2-3-13(15(19)20)17-14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20)
InChIKeyNDSJLAPKJODVQN-UHFFFAOYSA-N
XLogP0.90
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
2-[[2-(azetidin-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81079004
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 79607868
2-[[2-(1,1-dioxothiolan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81076824
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide
CID 119795719
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methoxypentyl)acetamide
CID 103810008
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795718
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
2-(3-cyclohexylpropanoylamino)-5-methoxypentanoic acid
CID 81076333
dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
CID 119768790

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid (CID 81084212) is 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid is COCCCC(NC(=O)CC1CC2CCC(C1)N2)C(=O)O.
What is the InChIKey of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid?
The InChIKey is NDSJLAPKJODVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-21-6-2-3-13(15(19)20)17-14(18)9-10-7-11-4-5-12(8-10)16-11/h10-13,16H,2-9H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid?
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid has a molecular weight of 298.38 g/mol, XLogP of 0.90, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81084212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).