ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate

C10H19NO2 — CID 62389281

IUPACethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCC1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(6-5-7-10)11-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyHPTFDFOTMJJBLT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.47
Rot. Bonds4

About ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate

ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate (PubChem CID 62389281) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
PubChem CID62389281
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC(C)C)CCC1
InChIInChI=1S/C10H19NO2/c1-4-13-9(12)10(6-5-7-10)11-8(2)3/h8,11H,4-7H2,1-3H3
InChIKeyHPTFDFOTMJJBLT-UHFFFAOYSA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate (CID 62389281) is ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate is CCOC(=O)C1(NC(C)C)CCC1.
What is the InChIKey of ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
The InChIKey is HPTFDFOTMJJBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-13-9(12)10(6-5-7-10)11-8(2)3/h8,11H,4-7H2,1-3H3.
What are the key properties of ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate?
ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(propan-2-ylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).