cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

C10H20ClNO3 — CID 138991439

IUPACcis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCCO[C@@H]1C[C@@](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/t7-,10-;/m1./s1
InChIKeyADDXPYDSFWBXPN-YZUKSGEXSA-N
MW237.73 g/mol
LogP1.11
Rot. Bonds3

About cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride

cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (PubChem CID 138991439) has the molecular formula C10H20ClNO3 and a molecular weight of 237.73 g/mol. Its IUPAC name is cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namecis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
PubChem CID138991439
Molecular FormulaC10H20ClNO3
Molecular Weight237.73 g/mol
Exact Mass237.11
IUPAC Namecis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride
SMILESCCO[C@@H]1C[C@@](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/t7-,10-;/m1./s1
InChIKeyADDXPYDSFWBXPN-YZUKSGEXSA-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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Related Compounds

Ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate hydrochloride
CID 138991548
rac-methyl (1R,3S)-1-amino-3-hydroxy-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
CID 146155122
methyl1-amino-3-tert-butylcyclobutane-1-carboxylatehydrochloride,Mixtureofdiastereomers
CID 155858326
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
CID 97300468
Ethyl 1-amino-3-tert-butylcyclobutane-1-carboxylate
CID 138991549
Methyl 8-amino-6-oxaspiro[3.4]octane-8-carboxylate;hydrochloride
CID 177799469
Methyl 1-amino-2,2-dimethylcyclobutane-1-carboxylate
CID 130554684
1-Amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid hydrochloride
CID 75467623
1-Amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
CID 75467624
Methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate hydrochloride
CID 75467625
Methyl 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
CID 75467626
Methyl 9-amino-6-oxaspiro[3.5]nonane-9-carboxylate
CID 83908247

Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The IUPAC name of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride (CID 138991439) is cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride.
What is the SMILES notation for cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The canonical SMILES for cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is CCO[C@@H]1C[C@@](N)(C(=O)OC)C1(C)C.Cl.
What is the InChIKey of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
The InChIKey is ADDXPYDSFWBXPN-YZUKSGEXSA-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/t7-,10-;/m1./s1.
What are the key properties of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride?
cis-methyl (1S,3R)-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 cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate;hydrochloride is sourced from PubChem (CID 138991439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).