5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid

C14H27NO2 — CID 19069510

IUPAC5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid
SMILESC=C(CCCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)9-15(10-12(3)4)8-6-7-13(5)14(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyURLKEZQIPIJBFN-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.02
Rot. Bonds9

About 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid

5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid (PubChem CID 19069510) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid
PubChem CID19069510
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid
SMILESC=C(CCCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C14H27NO2/c1-11(2)9-15(10-12(3)4)8-6-7-13(5)14(16)17/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyURLKEZQIPIJBFN-UHFFFAOYSA-N
XLogP3.02
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.02
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 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid (CID 19069510) is 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid is C=C(CCCN(CC(C)C)CC(C)C)C(=O)O.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid?
The InChIKey is URLKEZQIPIJBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11(2)9-15(10-12(3)4)8-6-7-13(5)14(16)17/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid?
5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid has a molecular weight of 241.37 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-2-methylidenepentanoic acid is sourced from PubChem (CID 19069510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).