1-(propylamino)propan-2-yl cyclobutanecarboxylate

C11H21NO2 — CID 82532634

IUPAC1-(propylamino)propan-2-yl cyclobutanecarboxylate
SMILESCCCNCC(C)OC(=O)C1CCC1
InChIInChI=1S/C11H21NO2/c1-3-7-12-8-9(2)14-11(13)10-5-4-6-10/h9-10,12H,3-8H2,1-2H3
InChIKeyXMIQTSPRMVZXIE-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds6

About 1-(propylamino)propan-2-yl cyclobutanecarboxylate

1-(propylamino)propan-2-yl cyclobutanecarboxylate (PubChem CID 82532634) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 1-(propylamino)propan-2-yl cyclobutanecarboxylate.

Molecular Properties

Compound Name1-(propylamino)propan-2-yl cyclobutanecarboxylate
PubChem CID82532634
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name1-(propylamino)propan-2-yl cyclobutanecarboxylate
SMILESCCCNCC(C)OC(=O)C1CCC1
InChIInChI=1S/C11H21NO2/c1-3-7-12-8-9(2)14-11(13)10-5-4-6-10/h9-10,12H,3-8H2,1-2H3
InChIKeyXMIQTSPRMVZXIE-UHFFFAOYSA-N
XLogP1.72
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(propylamino)propan-2-yl cyclobutanecarboxylate?
The IUPAC name of 1-(propylamino)propan-2-yl cyclobutanecarboxylate (CID 82532634) is 1-(propylamino)propan-2-yl cyclobutanecarboxylate.
What is the SMILES notation for 1-(propylamino)propan-2-yl cyclobutanecarboxylate?
The canonical SMILES for 1-(propylamino)propan-2-yl cyclobutanecarboxylate is CCCNCC(C)OC(=O)C1CCC1.
What is the InChIKey of 1-(propylamino)propan-2-yl cyclobutanecarboxylate?
The InChIKey is XMIQTSPRMVZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-7-12-8-9(2)14-11(13)10-5-4-6-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 1-(propylamino)propan-2-yl cyclobutanecarboxylate?
1-(propylamino)propan-2-yl cyclobutanecarboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(propylamino)propan-2-yl cyclobutanecarboxylate is sourced from PubChem (CID 82532634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).