methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate

C13H23NO3 — CID 43623945

IUPACmethyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate
SMILESCC/C=C(\C)C(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C13H23NO3/c1-6-8-10(3)11(15)14-13(4,9-7-2)12(16)17-5/h8H,6-7,9H2,1-5H3,(H,14,15)/b10-8+
InChIKeyKSWYKXSJXGXHJV-CSKARUKUSA-N
MW241.33 g/mol
LogP2.19
Rot. Bonds6

About methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate

methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate (PubChem CID 43623945) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate
PubChem CID43623945
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Namemethyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate
SMILESCC/C=C(\C)C(=O)NC(C)(CCC)C(=O)OC
InChIInChI=1S/C13H23NO3/c1-6-8-10(3)11(15)14-13(4,9-7-2)12(16)17-5/h8H,6-7,9H2,1-5H3,(H,14,15)/b10-8+
InChIKeyKSWYKXSJXGXHJV-CSKARUKUSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate (CID 43623945) is methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate is CC/C=C(\C)C(=O)NC(C)(CCC)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate?
The InChIKey is KSWYKXSJXGXHJV-CSKARUKUSA-N. The full InChI is InChI=1S/C13H23NO3/c1-6-8-10(3)11(15)14-13(4,9-7-2)12(16)17-5/h8H,6-7,9H2,1-5H3,(H,14,15)/b10-8+.
What are the key properties of methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate?
methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate has a molecular weight of 241.33 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[[(E)-2-methylpent-2-enoyl]amino]pentanoate is sourced from PubChem (CID 43623945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).