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

C9H17NO3 — CID 75467624

IUPAC1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)O)C1(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySYHVEFMYHPPEGV-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.60
Rot. Bonds3

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

1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (PubChem CID 75467624) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
PubChem CID75467624
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid
SMILESCCOC1CC(N)(C(=O)O)C1(C)C
InChIInChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12)
InChIKeySYHVEFMYHPPEGV-UHFFFAOYSA-N
XLogP0.60
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.60
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?
The IUPAC name of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid (CID 75467624) is 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The canonical SMILES for 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid is CCOC1CC(N)(C(=O)O)C1(C)C.
What is the InChIKey of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
The InChIKey is SYHVEFMYHPPEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-13-6-5-9(10,7(11)12)8(6,2)3/h6H,4-5,10H2,1-3H3,(H,11,12).
What are the key properties of 1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid?
1-amino-3-ethoxy-2,2-dimethylcyclobutane-1-carboxylic acid has a molecular weight of 187.24 g/mol, XLogP of 0.60, 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 is sourced from PubChem (CID 75467624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).