methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride

C9H16ClNO2 — CID 135363272

IUPACmethyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride
SMILESCOC(=O)CCC12CC(N)(C1)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-7(11)2-3-8-4-9(10,5-8)6-8;/h2-6,10H2,1H3;1H
InChIKeyFKYRADRJQKDDND-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.24
Rot. Bonds3

About methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride

methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride (PubChem CID 135363272) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride
PubChem CID135363272
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride
SMILESCOC(=O)CCC12CC(N)(C1)C2.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-12-7(11)2-3-8-4-9(10,5-8)6-8;/h2-6,10H2,1H3;1H
InChIKeyFKYRADRJQKDDND-UHFFFAOYSA-N
XLogP1.24
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride (CID 135363272) is methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride is COC(=O)CCC12CC(N)(C1)C2.Cl.
What is the InChIKey of methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride?
The InChIKey is FKYRADRJQKDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-12-7(11)2-3-8-4-9(10,5-8)6-8;/h2-6,10H2,1H3;1H.
What are the key properties of methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride?
methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride has a molecular weight of 205.68 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-amino-1-bicyclo[1.1.1]pentanyl)propanoate;hydrochloride is sourced from PubChem (CID 135363272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).