4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid

C11H19NO3 — CID 91078012

IUPAC4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid
SMILESC=C(C)C(=O)N(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)10(15)12(5)11(3,4)7-6-9(13)14/h1,6-7H2,2-5H3,(H,13,14)
InChIKeyPILHTYCABHHOOA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.66
Rot. Bonds5

About 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid

4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid (PubChem CID 91078012) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid
PubChem CID91078012
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid
SMILESC=C(C)C(=O)N(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C11H19NO3/c1-8(2)10(15)12(5)11(3,4)7-6-9(13)14/h1,6-7H2,2-5H3,(H,13,14)
InChIKeyPILHTYCABHHOOA-UHFFFAOYSA-N
XLogP1.66
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-4-(2-methylprop-2-enoylamino)pentanoic acid
CID 87770345
2-[2-[Methyl(2-methylprop-2-enoyl)amino]ethyl]pentanoic acid
CID 91144503
2-Methyl-4-[methyl(2-methylprop-2-enoyl)amino]butanoic acid
CID 91152299
4-Methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid
CID 91290294

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid (CID 91078012) is 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid is C=C(C)C(=O)N(C)C(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid?
The InChIKey is PILHTYCABHHOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)10(15)12(5)11(3,4)7-6-9(13)14/h1,6-7H2,2-5H3,(H,13,14).
What are the key properties of 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid?
4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid has a molecular weight of 213.28 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-[methyl(2-methylprop-2-enoyl)amino]pentanoic acid is sourced from PubChem (CID 91078012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).