(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid

C12H24N2O3 — CID 61173670

IUPAC(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(N)CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9?,10-/m0/s1
InChIKeyAZLASBBHHSLQDB-SMILAEQMSA-N
MW244.33 g/mol
LogP0.98
Rot. Bonds7

About (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid (PubChem CID 61173670) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid.

Molecular Properties

Compound Name(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
PubChem CID61173670
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid
SMILESCC[C@H](C)[C@H](NC(=O)C(N)CC(C)C)C(=O)O
InChIInChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9?,10-/m0/s1
InChIKeyAZLASBBHHSLQDB-SMILAEQMSA-N
XLogP0.98
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-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

2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 22706407
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid
CID 22706601
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoic acid
CID 18300641
2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-sulfanylpropanoyl]amino]-3-methylpentanoic acid
CID 18222055
2-(2-aminobutanoylamino)-3-methylpentanoic acid
CID 3625226
methyl (2S,3S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-methylpentanoate
CID 15017829
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoic acid
CID 22704548
2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 22702651
2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoic acid
CID 18300721
2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-3-methylpentanoic acid
CID 18222092
2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid
CID 22656279
2-[[6-amino-2-[[6-amino-2-[(2-amino-4-methylpentanoyl)amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoic acid
CID 18298971

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid?
The IUPAC name of (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid (CID 61173670) is (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid.
What is the SMILES notation for (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid?
The canonical SMILES for (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid is CC[C@H](C)[C@H](NC(=O)C(N)CC(C)C)C(=O)O.
What is the InChIKey of (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid?
The InChIKey is AZLASBBHHSLQDB-SMILAEQMSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-8(4)10(12(16)17)14-11(15)9(13)6-7(2)3/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)/t8-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid?
(2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid has a molecular weight of 244.33 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[(2-amino-4-methylpentanoyl)amino]-3-methylpentanoic acid is sourced from PubChem (CID 61173670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).