(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide

C12H23N5O4 — CID 24887233

IUPAC(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
SMILESCC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(N)=O
InChIInChI=1S/C12H23N5O4/c1-6(2)10(11(15)20)17-9(19)5-16-12(21)7(13)3-4-8(14)18/h6-7,10H,3-5,13H2,1-2H3,(H2,14,18)(H2,15,20)(H,16,21)(H,17,19)/t7-,10-/m0/s1
InChIKeyZWZNAWAOSAYYSO-XVKPBYJWSA-N
MW301.35 g/mol
LogP-2.68
Rot. Bonds9

About (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide

(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide (PubChem CID 24887233) has the molecular formula C12H23N5O4 and a molecular weight of 301.35 g/mol. Its IUPAC name is (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
PubChem CID24887233
Molecular FormulaC12H23N5O4
Molecular Weight301.35 g/mol
Exact Mass301.18
IUPAC Name(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide
SMILESCC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(N)=O
InChIInChI=1S/C12H23N5O4/c1-6(2)10(11(15)20)17-9(19)5-16-12(21)7(13)3-4-8(14)18/h6-7,10H,3-5,13H2,1-2H3,(H2,14,18)(H2,15,20)(H,16,21)(H,17,19)/t7-,10-/m0/s1
InChIKeyZWZNAWAOSAYYSO-XVKPBYJWSA-N
XLogP-2.68
TPSA170.40 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-2.68
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide 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)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylbutanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid
CID 18484510
(2S)-2-amino-N-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl]-3-methylbutanamide
CID 103884969
2-amino-N-[2-[[1-(methylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]pentanediamide
CID 143230399
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-3-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoic acid
CID 18480506
2-[[2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]acetyl]amino]-3-methylpentanoic acid
CID 22700718
(2S)-5-amino-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 145455067
2-[[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoic acid
CID 18479750
1-[2-[[2-[(2,5-diamino-5-oxopentanoyl)amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 18479952
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18235126
2-[[2-[[5-amino-2-(2,6-diaminohexanoylamino)-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18304846
4-amino-5-[[2-[[1-[(1-carboxy-2-methylpropyl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265568

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide?
The IUPAC name of (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide (CID 24887233) is (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide.
What is the SMILES notation for (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide?
The canonical SMILES for (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide is CC(C)[C@H](NC(=O)CNC(=O)[C@@H](N)CCC(N)=O)C(N)=O.
What is the InChIKey of (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide?
The InChIKey is ZWZNAWAOSAYYSO-XVKPBYJWSA-N. The full InChI is InChI=1S/C12H23N5O4/c1-6(2)10(11(15)20)17-9(19)5-16-12(21)7(13)3-4-8(14)18/h6-7,10H,3-5,13H2,1-2H3,(H2,14,18)(H2,15,20)(H,16,21)(H,17,19)/t7-,10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide?
(2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide has a molecular weight of 301.35 g/mol, XLogP of -2.68, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]pentanediamide is sourced from PubChem (CID 24887233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).