2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid

C11H19NO3 — CID 43630396

IUPAC2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
SMILESCC/C=C(\C)C(=O)NC(CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/b8-6+
InChIKeyVZEOWRVIPADUNU-SOFGYWHQSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds6

About 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid

2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid (PubChem CID 43630396) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
PubChem CID43630396
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid
SMILESCC/C=C(\C)C(=O)NC(CCC)C(=O)O
InChIInChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/b8-6+
InChIKeyVZEOWRVIPADUNU-SOFGYWHQSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid?
The IUPAC name of 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid (CID 43630396) is 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid?
The canonical SMILES for 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid is CC/C=C(\C)C(=O)NC(CCC)C(=O)O.
What is the InChIKey of 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid?
The InChIKey is VZEOWRVIPADUNU-SOFGYWHQSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-6-8(3)10(13)12-9(7-5-2)11(14)15/h6,9H,4-5,7H2,1-3H3,(H,12,13)(H,14,15)/b8-6+.
What are the key properties of 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid?
2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methylpent-2-enoyl]amino]pentanoic acid is sourced from PubChem (CID 43630396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).