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

C10H17NO3 — CID 91290294

IUPAC4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid
SMILESC=CC(=O)N(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C10H17NO3/c1-5-8(12)11(4)10(2,3)7-6-9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyQZJODYDLKDFFPS-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.27
Rot. Bonds5

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

4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid (PubChem CID 91290294) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid
PubChem CID91290294
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid
SMILESC=CC(=O)N(C)C(C)(C)CCC(=O)O
InChIInChI=1S/C10H17NO3/c1-5-8(12)11(4)10(2,3)7-6-9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14)
InChIKeyQZJODYDLKDFFPS-UHFFFAOYSA-N
XLogP1.27
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.27
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid (CID 91290294) is 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid is C=CC(=O)N(C)C(C)(C)CCC(=O)O.
What is the InChIKey of 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid?
The InChIKey is QZJODYDLKDFFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-8(12)11(4)10(2,3)7-6-9(13)14/h5H,1,6-7H2,2-4H3,(H,13,14).
What are the key properties of 4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid?
4-methyl-4-[methyl(prop-2-enoyl)amino]pentanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.27, 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(prop-2-enoyl)amino]pentanoic acid is sourced from PubChem (CID 91290294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).