dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride

C15H25ClN2O5 — CID 119768790

IUPACdimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
SMILESCOC(=O)CC(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC.Cl
InChIInChI=1S/C15H24N2O5.ClH/c1-21-14(19)8-12(15(20)22-2)17-13(18)7-9-5-10-3-4-11(6-9)16-10;/h9-12,16H,3-8H2,1-2H3,(H,17,18);1H
InChIKeyKGKKKSCXLJEYBQ-UHFFFAOYSA-N
MW348.83 g/mol
LogP0.55
Rot. Bonds6

About dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride

dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride (PubChem CID 119768790) has the molecular formula C15H25ClN2O5 and a molecular weight of 348.83 g/mol. Its IUPAC name is dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride.

Molecular Properties

Compound Namedimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
PubChem CID119768790
Molecular FormulaC15H25ClN2O5
Molecular Weight348.83 g/mol
Exact Mass348.15
IUPAC Namedimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride
SMILESCOC(=O)CC(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC.Cl
InChIInChI=1S/C15H24N2O5.ClH/c1-21-14(19)8-12(15(20)22-2)17-13(18)7-9-5-10-3-4-11(6-9)16-10;/h9-12,16H,3-8H2,1-2H3,(H,17,18);1H
InChIKeyKGKKKSCXLJEYBQ-UHFFFAOYSA-N
XLogP0.55
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride with MolForge

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Related Compounds

methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 119695137
2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-5-methoxypentanoic acid
CID 81084212
(2R)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 80750585
methyl 3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-3-(4-tert-butylphenyl)propanoate
CID 119798310
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(4-methoxybutan-2-yl)acetamide
CID 79615755
(2S)-2-[(2-cyclopropylacetyl)amino]-4-methoxy-4-oxobutanoic acid
CID 63306811
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
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]hexanoic acid
CID 107146892
(2S)-2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-4-methylsulfanylbutanoic acid
CID 79607868
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(1-methoxyhexan-2-yl)acetamide;hydrochloride
CID 119795718
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-methylpropoxy)acetamide
CID 82723040

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride?
The IUPAC name of dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride (CID 119768790) is dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride.
What is the SMILES notation for dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride?
The canonical SMILES for dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride is COC(=O)CC(NC(=O)CC1CC2CCC(C1)N2)C(=O)OC.Cl.
What is the InChIKey of dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride?
The InChIKey is KGKKKSCXLJEYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5.ClH/c1-21-14(19)8-12(15(20)22-2)17-13(18)7-9-5-10-3-4-11(6-9)16-10;/h9-12,16H,3-8H2,1-2H3,(H,17,18);1H.
What are the key properties of dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride?
dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride has a molecular weight of 348.83 g/mol, XLogP of 0.55, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]butanedioate;hydrochloride is sourced from PubChem (CID 119768790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).