ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate

C10H19NO2 — CID 103563412

IUPACethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(11)5-8(6-10)7(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyDOAIFPSHFOUCFB-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.31
Rot. Bonds3

About ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate

ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate (PubChem CID 103563412) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
PubChem CID103563412
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate
SMILESCCOC(=O)C1(N)CC(C(C)C)C1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(11)5-8(6-10)7(2)3/h7-8H,4-6,11H2,1-3H3
InChIKeyDOAIFPSHFOUCFB-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate (CID 103563412) is ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate is CCOC(=O)C1(N)CC(C(C)C)C1.
What is the InChIKey of ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate?
The InChIKey is DOAIFPSHFOUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-9(12)10(11)5-8(6-10)7(2)3/h7-8H,4-6,11H2,1-3H3.
What are the key properties of ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate?
ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-amino-3-propan-2-ylcyclobutane-1-carboxylate is sourced from PubChem (CID 103563412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).