(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid

C14H28N2O3 — CID 79005179

IUPAC(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-10(2)9-11(13(18)19)16-12(17)5-6-14(3,4)7-8-15/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyVMLXQHWUSJLQLF-NSHDSACASA-N
MW272.39 g/mol
LogP1.76
Rot. Bonds9

About (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid

(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid (PubChem CID 79005179) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
PubChem CID79005179
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid
SMILESCC(C)C[C@H](NC(=O)CCC(C)(C)CCN)C(=O)O
InChIInChI=1S/C14H28N2O3/c1-10(2)9-11(13(18)19)16-12(17)5-6-14(3,4)7-8-15/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1
InChIKeyVMLXQHWUSJLQLF-NSHDSACASA-N
XLogP1.76
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic 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

(2R)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoic acid
CID 65291208
5-amino-2-[(6-amino-4,4-dimethylhexanoyl)amino]-5-oxopentanoic acid
CID 65292107
(2R)-2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82012413
2-[(5-amino-4-methylpentanoyl)amino]-4-methylpentanoic acid
CID 82010708
(2R)-2-[[4-(2-aminoethyl)-5-methylhexanoyl]amino]-4-methylpentanoic acid
CID 78992738
6-amino-N-[1-(dimethylamino)-4-methylpentan-2-yl]-4,4-dimethylhexanamide
CID 65290403
(2R)-2-[3-(tert-butylamino)propanoylamino]-4-methylpentanoic acid
CID 78975548
methyl (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]propanoate
CID 65290947
(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid
CID 13037660
4-methyl-2-(3-methylsulfanylpropanoylamino)pentanoic acid
CID 43183366
(2S)-4-methyl-2-(3,4,4-trimethylpentanoylamino)pentanoic acid
CID 78952360
(2S)-4-methyl-2-(4-sulfobutanoylamino)pentanoic acid
CID 138523569

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid?
The IUPAC name of (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid (CID 79005179) is (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid is CC(C)C[C@H](NC(=O)CCC(C)(C)CCN)C(=O)O.
What is the InChIKey of (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid?
The InChIKey is VMLXQHWUSJLQLF-NSHDSACASA-N. The full InChI is InChI=1S/C14H28N2O3/c1-10(2)9-11(13(18)19)16-12(17)5-6-14(3,4)7-8-15/h10-11H,5-9,15H2,1-4H3,(H,16,17)(H,18,19)/t11-/m0/s1.
What are the key properties of (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid?
(2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid has a molecular weight of 272.39 g/mol, XLogP of 1.76, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(6-amino-4,4-dimethylhexanoyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 79005179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).