methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

C10H20ClNO3 — CID 75467625

IUPACmethyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCCOC1CC(N)(C(=O)OC)C1(C)C.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3;/h7H,5-6,11H2,1-4H3;1H
InChIKeyADDXPYDSFWBXPN-UHFFFAOYSA-N
MW237.73 g/mol
LogP1.11
Rot. Bonds3

About methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 75467625) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
PubChem CID75467625
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Namemethyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCCOC1CC(N)(C(=O)OC)C1(C)C.Cl
InChIInChI=1S/C10H19NO3.ClH/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3;/h7H,5-6,11H2,1-4H3;1H
InChIKeyADDXPYDSFWBXPN-UHFFFAOYSA-N
XLogP1.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (CID 75467625) is methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is CCOC1CC(N)(C(=O)OC)C1(C)C.Cl.
What is the InChIKey of methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is ADDXPYDSFWBXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3.ClH/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3;/h7H,5-6,11H2,1-4H3;1H.
What are the key properties of methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride has a molecular weight of 237.73 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 75467625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).