methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

C15H26N2O4 — CID 123732561

IUPACmethyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1CCC2CCC1N2
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)10-7-5-9-6-8-11(10)16-9/h9-12,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyPFIBUSNMCSCEPF-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.58
Rot. Bonds3

About methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate

methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (PubChem CID 123732561) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.

Molecular Properties

Compound Namemethyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
PubChem CID123732561
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Namemethyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
SMILESCOC(=O)C(NC(=O)OC(C)(C)C)C1CCC2CCC1N2
InChIInChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)10-7-5-9-6-8-11(10)16-9/h9-12,16H,5-8H2,1-4H3,(H,17,19)
InChIKeyPFIBUSNMCSCEPF-UHFFFAOYSA-N
XLogP1.58
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate with MolForge

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Related Compounds

tert-butyl N-[(1R,2S,5S)-8-azabicyclo[3.2.1]octan-2-yl]carbamate
CID 74787550
methyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-piperidin-4-ylacetate
CID 86309585
tert-butyl (2S)-2-[(1R,2S)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149454210
methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(oxan-4-yl)acetate
CID 42614608
methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(4-oxocyclohexyl)acetate
CID 58911914
dimethyl 3-[(1S)-2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]cyclopropane-1,2-dicarboxylate
CID 70211092
methyl 2-(1-acetylazetidin-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 169194354
3-[2-methoxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxoethyl]azetidine-1-carboxylic acid
CID 141430823
2-[(1S,2R)-2-hydroxycyclopentyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 166728593
dimethyl (2S,3R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
CID 10474650
methyl (2S)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 10989869
tert-butyl N-(2-amino-1-cyclohexyl-2-oxoethyl)carbamate
CID 75423323

Frequently Asked Questions

What is the IUPAC name of methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The IUPAC name of methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate (CID 123732561) is methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate.
What is the SMILES notation for methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The canonical SMILES for methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is COC(=O)C(NC(=O)OC(C)(C)C)C1CCC2CCC1N2.
What is the InChIKey of methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
The InChIKey is PFIBUSNMCSCEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-15(2,3)21-14(19)17-12(13(18)20-4)10-7-5-9-6-8-11(10)16-9/h9-12,16H,5-8H2,1-4H3,(H,17,19).
What are the key properties of methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate?
methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate has a molecular weight of 298.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(8-azabicyclo[3.2.1]octan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate is sourced from PubChem (CID 123732561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).