(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid

C8H15N3O4 — CID 103870179

IUPAC(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
SMILESCC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H15N3O4/c1-2-4(9)7(13)11-5(8(14)15)3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyBGYFLOVSDVWINZ-UHNVWZDZSA-N
MW217.22 g/mol
LogP-1.83
Rot. Bonds6

About (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid (PubChem CID 103870179) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
PubChem CID103870179
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid
SMILESCC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C8H15N3O4/c1-2-4(9)7(13)11-5(8(14)15)3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1
InChIKeyBGYFLOVSDVWINZ-UHNVWZDZSA-N
XLogP-1.83
TPSA135.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

(2R)-4-amino-2-(2-aminobutanoylamino)-4-oxobutanoic acid
CID 103870245
(2R)-4-amino-2-[[(2S)-2-aminobutanoyl]amino]-4-oxobutanoic acid
CID 103870339
4-amino-2-[[(2R)-2-aminopentanoyl]amino]-4-oxobutanoic acid
CID 103868880
4-amino-2-[(2-amino-3-hydroxypropanoyl)amino]-4-oxobutanoic acid
CID 13071897
4-amino-2-[(2-amino-3-sulfanylpropanoyl)amino]-4-oxobutanoic acid
CID 18218192
(2R)-2-[[(2S)-2-aminobutanoyl]amino]-3-hydroxypropanoic acid
CID 80750694
4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 61156639
4-amino-2-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 22652083
4-amino-2-[[3-carboxy-2-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
CID 22653337
(2S)-4-amino-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 14767397
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]butanedioic acid
CID 25002196
(2R)-2-[[(2S)-2-aminobutanoyl]amino]pentanoic acid
CID 103869979

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid (CID 103870179) is (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid is CC[C@@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid?
The InChIKey is BGYFLOVSDVWINZ-UHNVWZDZSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-2-4(9)7(13)11-5(8(14)15)3-6(10)12/h4-5H,2-3,9H2,1H3,(H2,10,12)(H,11,13)(H,14,15)/t4-,5+/m1/s1.
What are the key properties of (2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.83, 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-[[(2R)-2-aminobutanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 103870179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).