1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride

C9H18ClNO3 — CID 75467623

IUPAC1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride
SMILESCCOC1CC(N)(C(=O)O)C1(C)C.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-4-13-6-5-9(10,7(11)12)8(6,2)3;/h6H,4-5,10H2,1-3H3,(H,11,12);1H
InChIKeySIAMXEULQQEVAJ-UHFFFAOYSA-N
MW223.70 g/mol
LogP1.03
Rot. Bonds3

About 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride

1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride (PubChem CID 75467623) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride
PubChem CID75467623
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Name1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride
SMILESCCOC1CC(N)(C(=O)O)C1(C)C.Cl
InChIInChI=1S/C9H17NO3.ClH/c1-4-13-6-5-9(10,7(11)12)8(6,2)3;/h6H,4-5,10H2,1-3H3,(H,11,12);1H
InChIKeySIAMXEULQQEVAJ-UHFFFAOYSA-N
XLogP1.03
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride (CID 75467623) is 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride is CCOC1CC(N)(C(=O)O)C1(C)C.Cl.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride?
The InChIKey is SIAMXEULQQEVAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-4-13-6-5-9(10,7(11)12)8(6,2)3;/h6H,4-5,10H2,1-3H3,(H,11,12);1H.
What are the key properties of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride?
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 75467623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).