3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid

C15H30N2O3 — CID 65493717

IUPAC3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)CCC(C)CCN)CC(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)8-13(9-15(19)20)10-17-14(18)5-4-12(3)6-7-16/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySVHJFOYCKQMJRK-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.00
Rot. Bonds11

About 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid

3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid (PubChem CID 65493717) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid.

Molecular Properties

Compound Name3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid
PubChem CID65493717
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid
SMILESCC(C)CC(CNC(=O)CCC(C)CCN)CC(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)8-13(9-15(19)20)10-17-14(18)5-4-12(3)6-7-16/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20)
InChIKeySVHJFOYCKQMJRK-UHFFFAOYSA-N
XLogP2.00
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methylhexanoic acid
CID 82688879
(3S)-3-[(3-aminopropanoylamino)methyl]-5-methylhexanoic acid
CID 65493919
3-[[(5-amino-4-methylpentanoyl)amino]methyl]-5-methyloctanoic acid
CID 87608644
(3S)-5-methyl-3-[[3-(methylamino)propanoylamino]methyl]hexanoic acid
CID 65494541
5-methyl-3-[(octanoylamino)methyl]hexanoic acid
CID 65492458
5-methyl-3-[[4-(methylamino)butanoylamino]methyl]hexanoic acid
CID 65494760
3-[(3-ethoxypropanoylamino)methyl]-5-methylhexanoic acid
CID 65494349
3-[[(4-amino-3-methoxybutanoyl)amino]methyl]-5-methylhexanoic acid
CID 103156074
(3S)-5-methyl-3-[[(2-propan-2-yloxyacetyl)amino]methyl]hexanoic acid
CID 103940346
5-methyl-3-[(2-methylpropanoylamino)methyl]hexanoic acid
CID 65492879
3-[[[(2R)-2-amino-4-methylpentanoyl]amino]methyl]-5-methylhexanoic acid
CID 104903629
2-[[(6-amino-4-methylhexanoyl)amino]methyl]pentanoic acid
CID 65223888

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid?
The IUPAC name of 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid (CID 65493717) is 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid.
What is the SMILES notation for 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid?
The canonical SMILES for 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid is CC(C)CC(CNC(=O)CCC(C)CCN)CC(=O)O.
What is the InChIKey of 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid?
The InChIKey is SVHJFOYCKQMJRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)8-13(9-15(19)20)10-17-14(18)5-4-12(3)6-7-16/h11-13H,4-10,16H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid?
3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid has a molecular weight of 286.42 g/mol, XLogP of 2.00, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-amino-4-methylhexanoyl)amino]methyl]-5-methylhexanoic acid is sourced from PubChem (CID 65493717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).