(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid

C9H17N3O4 — CID 107824629

IUPAC(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
SMILESCC(N)C(C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-4(5(2)10)8(14)12-6(9(15)16)3-7(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t4?,5?,6-/m0/s1
InChIKeyGLGFOVHTNQELNB-WRVKLSGPSA-N
MW231.25 g/mol
LogP-1.59
Rot. Bonds6

About (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid

(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid (PubChem CID 107824629) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
PubChem CID107824629
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid
SMILESCC(N)C(C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C9H17N3O4/c1-4(5(2)10)8(14)12-6(9(15)16)3-7(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t4?,5?,6-/m0/s1
InChIKeyGLGFOVHTNQELNB-WRVKLSGPSA-N
XLogP-1.59
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-1.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
4-amino-2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoic acid
CID 18233436
4-amino-2-[[2-methyl-3-(methylamino)propanoyl]amino]-4-oxobutanoic acid
CID 79202743
(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
(2R)-4-amino-2-(2-methoxypropanoylamino)-4-oxobutanoic acid
CID 107821565
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870179
4-amino-2-[[2-(2-aminopropanoylamino)-3-hydroxypropanoyl]amino]-4-oxobutanoic acid
CID 18218507
4-amino-2-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 22652083
(2R)-4-amino-2-(2-methylpentanoylamino)-4-oxobutanoic acid
CID 107821489
(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 175735498
(2R)-4-amino-2-(3-aminobutanoylamino)-4-oxobutanoic acid
CID 103870227

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid (CID 107824629) is (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid is CC(N)C(C)C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid?
The InChIKey is GLGFOVHTNQELNB-WRVKLSGPSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-4(5(2)10)8(14)12-6(9(15)16)3-7(11)13/h4-6H,3,10H2,1-2H3,(H2,11,13)(H,12,14)(H,15,16)/t4?,5?,6-/m0/s1.
What are the key properties of (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid has a molecular weight of 231.25 g/mol, XLogP of -1.59, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[(3-amino-2-methylbutanoyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 107824629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).