methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate

C9H15NO2 — CID 155402586

IUPACmethyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
SMILESCOC(=O)CC12CC(N)(C1)[C@H]2C
InChIInChI=1S/C9H15NO2/c1-6-8(3-7(11)12-2)4-9(6,10)5-8/h6H,3-5,10H2,1-2H3/t6-,8?,9?/m0/s1
InChIKeyQDRQMPBDVGMJJC-GVWIPJJGSA-N
MW169.22 g/mol
LogP0.68
Rot. Bonds2

About methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate

methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate (PubChem CID 155402586) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
PubChem CID155402586
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate
SMILESCOC(=O)CC12CC(N)(C1)[C@H]2C
InChIInChI=1S/C9H15NO2/c1-6-8(3-7(11)12-2)4-9(6,10)5-8/h6H,3-5,10H2,1-2H3/t6-,8?,9?/m0/s1
InChIKeyQDRQMPBDVGMJJC-GVWIPJJGSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(1-bicyclo[2.1.0]pentanyl)acetate
CID 171036863
methyl 2-(1-amino-3-methylcyclohexyl)acetate
CID 79848601
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CID 71193848
methyl 1-(2-methoxy-2-oxoethyl)-2-methylcyclopropane-1-carboxylate
CID 102304411
methyl 2-(1-amino-4-tert-butyl-4-methylcyclohexyl)acetate
CID 70866796
methyl 2-(1-amino-3-ethoxycyclobutyl)acetate
CID 106824251
methyl 2-(2,5-dimethyl-1,3-dioxan-2-yl)acetate
CID 143088707
methyl 2-(4-amino-1,1-dioxothian-4-yl)acetate
CID 75356327
methyl 2-[(1S,2R,3R)-3-hydroxy-2-(hydroxymethyl)-1-methylcyclopentyl]acetate
CID 10750624
methyl 2-[(1R,5R)-6-amino-6-bicyclo[3.2.0]heptanyl]acetate
CID 178191667
methyl 2-(3-aminopyrrolidin-3-yl)acetate
CID 115012363
methyl 2-[1-(2-methoxy-2-oxoethyl)-3-methylcyclohexyl]acetate
CID 101326115

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate?
The IUPAC name of methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate (CID 155402586) is methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate.
What is the SMILES notation for methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate?
The canonical SMILES for methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate is COC(=O)CC12CC(N)(C1)[C@H]2C.
What is the InChIKey of methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate?
The InChIKey is QDRQMPBDVGMJJC-GVWIPJJGSA-N. The full InChI is InChI=1S/C9H15NO2/c1-6-8(3-7(11)12-2)4-9(6,10)5-8/h6H,3-5,10H2,1-2H3/t6-,8?,9?/m0/s1.
What are the key properties of methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate?
methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate has a molecular weight of 169.22 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-3-amino-2-methyl-1-bicyclo[1.1.1]pentanyl]acetate is sourced from PubChem (CID 155402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).