(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid

C11H20N2O4 — CID 166997811

IUPAC(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@H](C)CCC(=O)O)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-6(2)9(10(12)16)13-11(17)7(3)4-5-8(14)15/h6-7,9H,4-5H2,1-3H3,(H2,12,16)(H,13,17)(H,14,15)/t7-,9+/m1/s1
InChIKeyGANSYPHWPLBQMZ-APPZFPTMSA-N
MW244.29 g/mol
LogP0.11
Rot. Bonds7

About (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid

(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid (PubChem CID 166997811) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
PubChem CID166997811
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid
SMILESCC(C)[C@H](NC(=O)[C@H](C)CCC(=O)O)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-6(2)9(10(12)16)13-11(17)7(3)4-5-8(14)15/h6-7,9H,4-5H2,1-3H3,(H2,12,16)(H,13,17)(H,14,15)/t7-,9+/m1/s1
InChIKeyGANSYPHWPLBQMZ-APPZFPTMSA-N
XLogP0.11
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid with MolForge

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Related Compounds

(4R)-5-amino-4-methyl-5-oxopentanoic acid
CID 170269048
5-amino-4-(2,4-dimethylpentanoylamino)-5-oxopentanoic acid
CID 170732658
(4S)-4-[[(2S)-2-aminopropanoyl]amino]-5-[[(1S)-1-carboxy-2-methylpropyl]amino]-5-oxopentanoic acid
CID 145453582
(4R)-5-(carbamoylamino)-4-methyl-5-oxopentanoic acid
CID 137467884
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-3-methylbutanamide
CID 106344993
5-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-5-oxopentanoic acid
CID 106344071
(4S)-4-methyl-5-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-5-oxopentanoic acid
CID 170261624
2-(2-aminopropanoylamino)-3-methylbutanamide
CID 22282408
2-[[3-methyl-2-(methylamino)butanoyl]amino]pentanedioic acid
CID 118551239
(4S)-4-amino-5-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 102446485
4-acetamido-5-amino-5-oxopentanoic acid
CID 23273726
2-[[5-amino-2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18484479

Frequently Asked Questions

What is the IUPAC name of (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid?
The IUPAC name of (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid (CID 166997811) is (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid.
What is the SMILES notation for (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid?
The canonical SMILES for (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid is CC(C)[C@H](NC(=O)[C@H](C)CCC(=O)O)C(N)=O.
What is the InChIKey of (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid?
The InChIKey is GANSYPHWPLBQMZ-APPZFPTMSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-6(2)9(10(12)16)13-11(17)7(3)4-5-8(14)15/h6-7,9H,4-5H2,1-3H3,(H2,12,16)(H,13,17)(H,14,15)/t7-,9+/m1/s1.
What are the key properties of (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid?
(4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-5-oxopentanoic acid is sourced from PubChem (CID 166997811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).