ethyl 2-(ethoxycarbonylamino)pentanoate

C10H19NO4 — CID 91718573

IUPACethyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-7-8(9(12)14-5-2)11-10(13)15-6-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPCCZFHOCUANELS-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.46
Rot. Bonds6

About ethyl 2-(ethoxycarbonylamino)pentanoate

ethyl 2-(ethoxycarbonylamino)pentanoate (PubChem CID 91718573) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-(ethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nameethyl 2-(ethoxycarbonylamino)pentanoate
PubChem CID91718573
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-(ethoxycarbonylamino)pentanoate
SMILESCCCC(NC(=O)OCC)C(=O)OCC
InChIInChI=1S/C10H19NO4/c1-4-7-8(9(12)14-5-2)11-10(13)15-6-3/h8H,4-7H2,1-3H3,(H,11,13)
InChIKeyPCCZFHOCUANELS-UHFFFAOYSA-N
XLogP1.46
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(ethoxycarbonylamino)pentanoate?
The IUPAC name of ethyl 2-(ethoxycarbonylamino)pentanoate (CID 91718573) is ethyl 2-(ethoxycarbonylamino)pentanoate.
What is the SMILES notation for ethyl 2-(ethoxycarbonylamino)pentanoate?
The canonical SMILES for ethyl 2-(ethoxycarbonylamino)pentanoate is CCCC(NC(=O)OCC)C(=O)OCC.
What is the InChIKey of ethyl 2-(ethoxycarbonylamino)pentanoate?
The InChIKey is PCCZFHOCUANELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-7-8(9(12)14-5-2)11-10(13)15-6-3/h8H,4-7H2,1-3H3,(H,11,13).
What are the key properties of ethyl 2-(ethoxycarbonylamino)pentanoate?
ethyl 2-(ethoxycarbonylamino)pentanoate has a molecular weight of 217.26 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(ethoxycarbonylamino)pentanoate is sourced from PubChem (CID 91718573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).