5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid

C17H36N2O2 — CID 63466519

IUPAC5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C17H36N2O2/c1-7-10-18-17(6,16(20)21)9-8-11-19(12-14(2)3)13-15(4)5/h14-15,18H,7-13H2,1-6H3,(H,20,21)
InChIKeyAHEZZQZKMUKHLA-UHFFFAOYSA-N
MW300.49 g/mol
LogP3.22
Rot. Bonds12

About 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid

5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid (PubChem CID 63466519) has the molecular formula C17H36N2O2 and a molecular weight of 300.49 g/mol. Its IUPAC name is 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid.

Molecular Properties

Compound Name5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
PubChem CID63466519
Molecular FormulaC17H36N2O2
Molecular Weight300.49 g/mol
Exact Mass300.28
IUPAC Name5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid
SMILESCCCNC(C)(CCCN(CC(C)C)CC(C)C)C(=O)O
InChIInChI=1S/C17H36N2O2/c1-7-10-18-17(6,16(20)21)9-8-11-19(12-14(2)3)13-15(4)5/h14-15,18H,7-13H2,1-6H3,(H,20,21)
InChIKeyAHEZZQZKMUKHLA-UHFFFAOYSA-N
XLogP3.22
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.49
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The IUPAC name of 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid (CID 63466519) is 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid.
What is the SMILES notation for 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The canonical SMILES for 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid is CCCNC(C)(CCCN(CC(C)C)CC(C)C)C(=O)O.
What is the InChIKey of 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
The InChIKey is AHEZZQZKMUKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O2/c1-7-10-18-17(6,16(20)21)9-8-11-19(12-14(2)3)13-15(4)5/h14-15,18H,7-13H2,1-6H3,(H,20,21).
What are the key properties of 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid?
5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid has a molecular weight of 300.49 g/mol, XLogP of 3.22, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[bis(2-methylpropyl)amino]-2-methyl-2-(propylamino)pentanoic acid is sourced from PubChem (CID 63466519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).