(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

C11H20N4O6 — CID 175735498

IUPAC(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](O)[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O6/c1-4(14-10(19)8(13)5(2)16)9(18)15-6(11(20)21)3-7(12)17/h4-6,8,16H,3,13H2,1-2H3,(H2,12,17)(H,14,19)(H,15,18)(H,20,21)/t4-,5+,6+,8-/m1/s1
InChIKeyDFTCYYILCSQGIZ-FZGKIIIMSA-N
MW304.30 g/mol
LogP-3.36
Rot. Bonds8

About (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid

(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid (PubChem CID 175735498) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
PubChem CID175735498
Molecular FormulaC11H20N4O6
Molecular Weight304.30 g/mol
Exact Mass304.14
IUPAC Name(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid
SMILESC[C@H](O)[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O6/c1-4(14-10(19)8(13)5(2)16)9(18)15-6(11(20)21)3-7(12)17/h4-6,8,16H,3,13H2,1-2H3,(H2,12,17)(H,14,19)(H,15,18)(H,20,21)/t4-,5+,6+,8-/m1/s1
InChIKeyDFTCYYILCSQGIZ-FZGKIIIMSA-N
XLogP-3.36
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 5-3.36
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid with MolForge

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Launch Full Analysis

Related Compounds

4-amino-2-[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18749492
4-amino-2-[2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-methylpentanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18748694
4-amino-2-[[4-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 18751126
4-amino-2-[2-[2-[(2-amino-3-methylpentanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 18500607
(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid
CID 145458111
4-amino-2-[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid
CID 22652083
2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
CID 18224226
2-[[4-amino-2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-4-oxobutanoyl]amino]acetic acid
CID 18745144
5-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18747195
4-amino-2-[2-[[4-amino-2-[(2-amino-3-methylpentanoyl)amino]-4-oxobutanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18501404
2-[[2-[2-[(2-amino-3-hydroxybutanoyl)amino]propanoylamino]-3-sulfanylpropanoyl]amino]butanedioic acid
CID 18745180
2-[[2-[[4-amino-2-[(2-amino-3-hydroxybutanoyl)amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]butanedioic acid
CID 18745998

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid (CID 175735498) is (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid is C[C@H](O)[C@@H](N)C(=O)N[C@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid?
The InChIKey is DFTCYYILCSQGIZ-FZGKIIIMSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-4(14-10(19)8(13)5(2)16)9(18)15-6(11(20)21)3-7(12)17/h4-6,8,16H,3,13H2,1-2H3,(H2,12,17)(H,14,19)(H,15,18)(H,20,21)/t4-,5+,6+,8-/m1/s1.
What are the key properties of (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid?
(2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid has a molecular weight of 304.30 g/mol, XLogP of -3.36, 8 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[[(2R)-2-[[(2R,3S)-2-amino-3-hydroxybutanoyl]amino]propanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 175735498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).