methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate

C17H30N2O3 — CID 119819819

IUPACmethyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
SMILESCCC(CC)(CC(=O)OC)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H30N2O3/c1-4-17(5-2,11-16(21)22-3)19-15(20)10-12-8-13-6-7-14(9-12)18-13/h12-14,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVTQLHHKKYIUREB-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.15
Rot. Bonds7

About methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate

methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate (PubChem CID 119819819) has the molecular formula C17H30N2O3 and a molecular weight of 310.44 g/mol. Its IUPAC name is methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
PubChem CID119819819
Molecular FormulaC17H30N2O3
Molecular Weight310.44 g/mol
Exact Mass310.23
IUPAC Namemethyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
SMILESCCC(CC)(CC(=O)OC)NC(=O)CC1CC2CCC(C1)N2
InChIInChI=1S/C17H30N2O3/c1-4-17(5-2,11-16(21)22-3)19-15(20)10-12-8-13-6-7-14(9-12)18-13/h12-14,18H,4-11H2,1-3H3,(H,19,20)
InChIKeyVTQLHHKKYIUREB-UHFFFAOYSA-N
XLogP2.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate with MolForge

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methoxy-3-methylbutanoate;hydrochloride
CID 119819764
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
CID 119815297
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-diethylbutyl)acetamide;hydrochloride
CID 119822033
methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate
CID 119344213
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide
CID 119820379
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[1-(2-methoxyethyl)cyclobutyl]methyl]acetamide;hydrochloride
CID 119820378
dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
CID 119768790
methyl 3-[(2-aminoacetyl)amino]-3-ethylpentanoate;hydrochloride
CID 119344212
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
methyl (3S)-3-methyl-3-[(2-piperidin-4-ylacetyl)amino]pentanoate
CID 124597025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate?
The IUPAC name of methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate (CID 119819819) is methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate.
What is the SMILES notation for methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate?
The canonical SMILES for methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate is CCC(CC)(CC(=O)OC)NC(=O)CC1CC2CCC(C1)N2.
What is the InChIKey of methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate?
The InChIKey is VTQLHHKKYIUREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O3/c1-4-17(5-2,11-16(21)22-3)19-15(20)10-12-8-13-6-7-14(9-12)18-13/h12-14,18H,4-11H2,1-3H3,(H,19,20).
What are the key properties of methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate?
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate has a molecular weight of 310.44 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate is sourced from PubChem (CID 119819819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).