ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate

C16H31N3O2 — CID 79163910

IUPACethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3O2/c1-4-21-15(20)16(2,17)9-5-10-19-11-8-13-6-7-14(12-19)18(13)3/h13-14H,4-12,17H2,1-3H3
InChIKeyJOBSWQMUDQOFQB-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.22
Rot. Bonds6

About ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate

ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate (PubChem CID 79163910) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
PubChem CID79163910
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nameethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
SMILESCCOC(=O)C(C)(N)CCCN1CCC2CCC(C1)N2C
InChIInChI=1S/C16H31N3O2/c1-4-21-15(20)16(2,17)9-5-10-19-11-8-13-6-7-14(12-19)18(13)3/h13-14H,4-12,17H2,1-3H3
InChIKeyJOBSWQMUDQOFQB-UHFFFAOYSA-N
XLogP1.22
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate with MolForge

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Related Compounds

ethyl 2-amino-2-methyl-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)butanoate
CID 79175280
methyl 2-amino-2-methyl-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanoate
CID 79163888
ethyl 2-amino-6-[3-(methoxymethyl)pyrrolidin-1-yl]-2-methylhexanoate
CID 64581948
methyl 2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate
CID 79163896
ethyl 2-amino-6-(3,4-dimethylpyrrolidin-1-yl)-2-methylhexanoate
CID 79184776
1-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentan-2-ol
CID 79171055
2-methyl-2-(methylamino)-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanamide
CID 79175376
methyl 2-amino-2-methyl-5-(3-morpholin-4-ylpyrrolidin-1-yl)pentanoate
CID 63170970
3-(aminomethyl)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-3-ol
CID 106811396
2-methyl-2-(methylamino)-6-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexanamide
CID 79163911
2-amino-2-methyl-5-(3-pyrrolidin-1-ylpyrrolidin-1-yl)pentanoic acid
CID 55159526
ethyl 2-amino-2-methyl-5-(3,3,4-trimethylpiperazin-1-yl)pentanoate
CID 63633515

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate?
The IUPAC name of ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate (CID 79163910) is ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate.
What is the SMILES notation for ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate?
The canonical SMILES for ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate is CCOC(=O)C(C)(N)CCCN1CCC2CCC(C1)N2C.
What is the InChIKey of ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate?
The InChIKey is JOBSWQMUDQOFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-21-15(20)16(2,17)9-5-10-19-11-8-13-6-7-14(12-19)18(13)3/h13-14H,4-12,17H2,1-3H3.
What are the key properties of ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate?
ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate has a molecular weight of 297.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-methyl-5-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoate is sourced from PubChem (CID 79163910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).