propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate

C14H27NO4 — CID 134521791

IUPACpropyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate
SMILESCCCOC(=O)CC(C)N(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-6-8-19-13(16)9-12(5)15(10-11(3)4)14(17)18-7-2/h11-12H,6-10H2,1-5H3
InChIKeySMHWNQOILOEMSS-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.83
Rot. Bonds8

About propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate

propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate (PubChem CID 134521791) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate.

Molecular Properties

Compound Namepropyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate
PubChem CID134521791
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Namepropyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate
SMILESCCCOC(=O)CC(C)N(CC(C)C)C(=O)OCC
InChIInChI=1S/C14H27NO4/c1-6-8-19-13(16)9-12(5)15(10-11(3)4)14(17)18-7-2/h11-12H,6-10H2,1-5H3
InChIKeySMHWNQOILOEMSS-UHFFFAOYSA-N
XLogP2.83
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate?
The IUPAC name of propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate (CID 134521791) is propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate.
What is the SMILES notation for propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate?
The canonical SMILES for propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate is CCCOC(=O)CC(C)N(CC(C)C)C(=O)OCC.
What is the InChIKey of propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate?
The InChIKey is SMHWNQOILOEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO4/c1-6-8-19-13(16)9-12(5)15(10-11(3)4)14(17)18-7-2/h11-12H,6-10H2,1-5H3.
What are the key properties of propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate?
propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate has a molecular weight of 273.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-[ethoxycarbonyl(2-methylpropyl)amino]butanoate is sourced from PubChem (CID 134521791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).