2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid

C15H29N3O2 — CID 79174927

IUPAC2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC2CCC(C1)N2C)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-11(9-15(2,16-3)14(19)20)18-8-7-12-5-6-13(10-18)17(12)4/h11-13,16H,5-10H2,1-4H3,(H,19,20)
InChIKeyHAEYKQVTIDCRCJ-UHFFFAOYSA-N
MW283.42 g/mol
LogP1.00
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid

2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid (PubChem CID 79174927) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
PubChem CID79174927
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC Name2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid
SMILESCNC(C)(CC(C)N1CCC2CCC(C1)N2C)C(=O)O
InChIInChI=1S/C15H29N3O2/c1-11(9-15(2,16-3)14(19)20)18-8-7-12-5-6-13(10-18)17(12)4/h11-13,16H,5-10H2,1-4H3,(H,19,20)
InChIKeyHAEYKQVTIDCRCJ-UHFFFAOYSA-N
XLogP1.00
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid (CID 79174927) is 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid is CNC(C)(CC(C)N1CCC2CCC(C1)N2C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid?
The InChIKey is HAEYKQVTIDCRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O2/c1-11(9-15(2,16-3)14(19)20)18-8-7-12-5-6-13(10-18)17(12)4/h11-13,16H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid?
2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid has a molecular weight of 283.42 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanoic acid is sourced from PubChem (CID 79174927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).