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

C15H26N2O4 — CID 119815297

IUPACmethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC
InChIInChI=1S/C15H26N2O4/c1-15(9-20-2,14(19)21-3)17-13(18)8-10-6-11-4-5-12(7-10)16-11/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyKUCDDFGAPMXOJO-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.60
Rot. Bonds6

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

methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate (PubChem CID 119815297) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
PubChem CID119815297
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate
SMILESCOCC(C)(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC
InChIInChI=1S/C15H26N2O4/c1-15(9-20-2,14(19)21-3)17-13(18)8-10-6-11-4-5-12(7-10)16-11/h10-12,16H,4-9H2,1-3H3,(H,17,18)
InChIKeyKUCDDFGAPMXOJO-UHFFFAOYSA-N
XLogP0.60
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methoxy-3-methylbutanoate;hydrochloride
CID 119819764
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-ethylpentanoate
CID 119819819
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-hydroxy-3-methylpentan-3-yl)acetamide
CID 106176187
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
methyl 3-methoxy-2-methyl-2-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]propanoate
CID 120637972
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-(4-methoxybutan-2-yl)acetamide
CID 79615755
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2,2-dimethoxyethyl)acetamide
CID 79607693
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromophenyl)propan-2-yl]acetamide
CID 119734263
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-N-(2-methoxyethyl)propanamide
CID 115738495
2-(azetidin-3-yl)-N-(1-methoxy-2-methylpropan-2-yl)acetamide
CID 115738814
N-(1-methoxy-2-methylpropan-2-yl)-2-piperidin-4-ylacetamide
CID 115738831

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate?
The IUPAC name of methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate (CID 119815297) is methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate.
What is the SMILES notation for methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate?
The canonical SMILES for methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate is COCC(C)(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC.
What is the InChIKey of methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate?
The InChIKey is KUCDDFGAPMXOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(9-20-2,14(19)21-3)17-13(18)8-10-6-11-4-5-12(7-10)16-11/h10-12,16H,4-9H2,1-3H3,(H,17,18).
What are the key properties of methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate?
methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate has a molecular weight of 298.38 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-methoxy-2-methylpropanoate is sourced from PubChem (CID 119815297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).