ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate

C15H27NO5 — CID 15521923

IUPACethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate
SMILESCCOC(=O)CCN(CCCC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-6-20-13(18)9-11-16(10-7-8-12(2)17)14(19)21-15(3,4)5/h6-11H2,1-5H3
InChIKeyXWBDWSJCCFQUAI-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.55
Rot. Bonds8

About ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate

ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate (PubChem CID 15521923) has the molecular formula C15H27NO5 and a molecular weight of 301.38 g/mol. Its IUPAC name is ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate
PubChem CID15521923
Molecular FormulaC15H27NO5
Molecular Weight301.38 g/mol
Exact Mass301.19
IUPAC Nameethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate
SMILESCCOC(=O)CCN(CCCC(C)=O)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27NO5/c1-6-20-13(18)9-11-16(10-7-8-12(2)17)14(19)21-15(3,4)5/h6-11H2,1-5H3
InChIKeyXWBDWSJCCFQUAI-UHFFFAOYSA-N
XLogP2.55
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate?
The IUPAC name of ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate (CID 15521923) is ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate.
What is the SMILES notation for ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate?
The canonical SMILES for ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate is CCOC(=O)CCN(CCCC(C)=O)C(=O)OC(C)(C)C.
What is the InChIKey of ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate?
The InChIKey is XWBDWSJCCFQUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO5/c1-6-20-13(18)9-11-16(10-7-8-12(2)17)14(19)21-15(3,4)5/h6-11H2,1-5H3.
What are the key properties of ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate?
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate has a molecular weight of 301.38 g/mol, XLogP of 2.55, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(4-oxopentyl)amino]propanoate is sourced from PubChem (CID 15521923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).