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

C10H19NO3 — CID 97300468

IUPACcis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
SMILESCCO[C@@H]1C[C@@](N)(C(=O)OC)C1(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
InChIKeyXVQPEWONSTYETA-GMSGAONNSA-N
MW201.27 g/mol
LogP0.69
Rot. Bonds3

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

cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate (PubChem CID 97300468) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate.

Molecular Properties

Compound Namecis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
PubChem CID97300468
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namecis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate
SMILESCCO[C@@H]1C[C@@](N)(C(=O)OC)C1(C)C
InChIInChI=1S/C10H19NO3/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1
InChIKeyXVQPEWONSTYETA-GMSGAONNSA-N
XLogP0.69
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate?
The IUPAC name of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate (CID 97300468) is cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate.
What is the SMILES notation for cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate?
The canonical SMILES for cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate is CCO[C@@H]1C[C@@](N)(C(=O)OC)C1(C)C.
What is the InChIKey of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate?
The InChIKey is XVQPEWONSTYETA-GMSGAONNSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-14-7-6-10(11,8(12)13-4)9(7,2)3/h7H,5-6,11H2,1-4H3/t7-,10-/m1/s1.
What are the key properties of cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate?
cis-methyl (1S,3R)-1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.69, 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 is sourced from PubChem (CID 97300468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).