ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride

C8H16ClNO3 — CID 139016608

IUPACethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(O)(CN)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-7(10)6-3-8(11,4-6)5-9;/h6,11H,2-5,9H2,1H3;1H
InChIKeyDSPZVQDPMXZWOY-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.07
Rot. Bonds3

About ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride

ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride (PubChem CID 139016608) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride
PubChem CID139016608
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Nameethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride
SMILESCCOC(=O)C1CC(O)(CN)C1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-2-12-7(10)6-3-8(11,4-6)5-9;/h6,11H,2-5,9H2,1H3;1H
InChIKeyDSPZVQDPMXZWOY-UHFFFAOYSA-N
XLogP0.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride (CID 139016608) is ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride is CCOC(=O)C1CC(O)(CN)C1.Cl.
What is the InChIKey of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride?
The InChIKey is DSPZVQDPMXZWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-2-12-7(10)6-3-8(11,4-6)5-9;/h6,11H,2-5,9H2,1H3;1H.
What are the key properties of ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride?
ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(aminomethyl)-3-hydroxycyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 139016608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).