6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid

C13H26N2O3 — CID 104903554

IUPAC6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)8-11(14)13(18)15-7-6-10(3)4-5-12(16)17/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyIMWXGYXCUZAYTA-RRKGBCIJSA-N
MW258.36 g/mol
LogP1.37
Rot. Bonds9

About 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid

6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid (PubChem CID 104903554) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
PubChem CID104903554
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid
SMILESCC(C)C[C@@H](N)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C13H26N2O3/c1-9(2)8-11(14)13(18)15-7-6-10(3)4-5-12(16)17/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t10?,11-/m1/s1
InChIKeyIMWXGYXCUZAYTA-RRKGBCIJSA-N
XLogP1.37
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-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

2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]pentanedioic acid
CID 18221982
(2S)-2-amino-4-methyl-N-(4-methylpentyl)pentanamide
CID 61158361
4-[2-[(2-amino-3-carboxypropanoyl)amino]ethyl]-5-methylhexanoic acid
CID 64894994
2-[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-carboxypropanoyl]amino]propanoylamino]pentanedioic acid
CID 22703648
5-[[(2R)-2-amino-4-methylpentanoyl]amino]hexanoic acid
CID 104903890
(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 145456412
2-amino-N-(5-amino-5-oxopentyl)-4-methylpentanamide
CID 106235612
4-methyl-6-[(3-methyl-2-propan-2-ylbutyl)carbamoylamino]hexanoic acid
CID 102907233
6-[(1-aminocyclopropanecarbonyl)amino]-4-methylhexanoic acid
CID 65459092
4-[(2-amino-4-methylpentanoyl)amino]-5-[[3-carboxy-1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 22704499
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
(2S)-2-amino-4-methyl-N-[3-oxo-3-(propan-2-ylamino)propyl]pentanamide;hydrochloride
CID 119703887

Frequently Asked Questions

What is the IUPAC name of 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid?
The IUPAC name of 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid (CID 104903554) is 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid is CC(C)C[C@@H](N)C(=O)NCCC(C)CCC(=O)O.
What is the InChIKey of 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid?
The InChIKey is IMWXGYXCUZAYTA-RRKGBCIJSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-9(2)8-11(14)13(18)15-7-6-10(3)4-5-12(16)17/h9-11H,4-8,14H2,1-3H3,(H,15,18)(H,16,17)/t10?,11-/m1/s1.
What are the key properties of 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid?
6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid has a molecular weight of 258.36 g/mol, XLogP of 1.37, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2R)-2-amino-4-methylpentanoyl]amino]-4-methylhexanoic acid is sourced from PubChem (CID 104903554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).