4-methyl-4-(pent-4-enoylamino)pentanoic acid

C11H19NO3 — CID 62679085

IUPAC4-methyl-4-(pent-4-enoylamino)pentanoic acid
SMILESC=CCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-4-5-6-9(13)12-11(2,3)8-7-10(14)15/h4H,1,5-8H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyYMDJAIKZSSDVMD-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.71
Rot. Bonds7

About 4-methyl-4-(pent-4-enoylamino)pentanoic acid

4-methyl-4-(pent-4-enoylamino)pentanoic acid (PubChem CID 62679085) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-4-(pent-4-enoylamino)pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-(pent-4-enoylamino)pentanoic acid
PubChem CID62679085
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-methyl-4-(pent-4-enoylamino)pentanoic acid
SMILESC=CCCC(=O)NC(C)(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-4-5-6-9(13)12-11(2,3)8-7-10(14)15/h4H,1,5-8H2,2-3H3,(H,12,13)(H,14,15)
InChIKeyYMDJAIKZSSDVMD-UHFFFAOYSA-N
XLogP1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(pent-4-enoylamino)pentanoic acid?
The IUPAC name of 4-methyl-4-(pent-4-enoylamino)pentanoic acid (CID 62679085) is 4-methyl-4-(pent-4-enoylamino)pentanoic acid.
What is the SMILES notation for 4-methyl-4-(pent-4-enoylamino)pentanoic acid?
The canonical SMILES for 4-methyl-4-(pent-4-enoylamino)pentanoic acid is C=CCCC(=O)NC(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-(pent-4-enoylamino)pentanoic acid?
The InChIKey is YMDJAIKZSSDVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-4-5-6-9(13)12-11(2,3)8-7-10(14)15/h4H,1,5-8H2,2-3H3,(H,12,13)(H,14,15).
What are the key properties of 4-methyl-4-(pent-4-enoylamino)pentanoic acid?
4-methyl-4-(pent-4-enoylamino)pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(pent-4-enoylamino)pentanoic acid is sourced from PubChem (CID 62679085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).