4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid

C14H25N5O6 — CID 18232330

IUPAC4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
SMILESCC(C)C(N)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C14H25N5O6/c1-6(2)11(17)13(23)18-7(3-4-9(15)20)12(22)19-8(14(24)25)5-10(16)21/h6-8,11H,3-5,17H2,1-2H3,(H2,15,20)(H2,16,21)(H,18,23)(H,19,22)(H,24,25)
InChIKeyOUUBKKIJQIAPRI-UHFFFAOYSA-N
MW359.38 g/mol
LogP-2.84
Rot. Bonds11

About 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid

4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid (PubChem CID 18232330) has the molecular formula C14H25N5O6 and a molecular weight of 359.38 g/mol. Its IUPAC name is 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
PubChem CID18232330
Molecular FormulaC14H25N5O6
Molecular Weight359.38 g/mol
Exact Mass359.18
IUPAC Name4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
SMILESCC(C)C(N)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C14H25N5O6/c1-6(2)11(17)13(23)18-7(3-4-9(15)20)12(22)19-8(14(24)25)5-10(16)21/h6-8,11H,3-5,17H2,1-2H3,(H2,15,20)(H2,16,21)(H,18,23)(H,19,22)(H,24,25)
InChIKeyOUUBKKIJQIAPRI-UHFFFAOYSA-N
XLogP-2.84
TPSA207.70 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.38
LogP ≤ 5-2.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic 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

(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 145458847
(2R)-5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid
CID 114006033
5-amino-2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18232276
5-[[5-amino-1-[(3-amino-1-carboxy-3-oxopropyl)amino]-1,5-dioxopentan-2-yl]amino]-4-[(2-amino-3-hydroxybutanoyl)amino]-5-oxopentanoic acid
CID 18747215
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
5-amino-2-[[4-amino-2-[[5-amino-2-[(2-amino-3-methylpentanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18293855
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 11247800
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-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18234969
(2S)-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoic acid
CID 175735307
4-amino-2-[[5-amino-2-[[2-[(2-amino-3-hydroxybutanoyl)amino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid
CID 18750009
4-amino-2-[[4-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoic acid
CID 22654515

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid (CID 18232330) is 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid is CC(C)C(N)C(=O)NC(CCC(N)=O)C(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid?
The InChIKey is OUUBKKIJQIAPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O6/c1-6(2)11(17)13(23)18-7(3-4-9(15)20)12(22)19-8(14(24)25)5-10(16)21/h6-8,11H,3-5,17H2,1-2H3,(H2,15,20)(H2,16,21)(H,18,23)(H,19,22)(H,24,25).
What are the key properties of 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid?
4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid has a molecular weight of 359.38 g/mol, XLogP of -2.84, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 18232330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).