2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide

C12H22N6O5 — CID 20833007

IUPAC2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
SMILESCC(NC(=O)CNC(=O)C(C)NC(=O)C(N)CC(N)=O)C(N)=O
InChIInChI=1S/C12H22N6O5/c1-5(10(15)21)17-9(20)4-16-11(22)6(2)18-12(23)7(13)3-8(14)19/h5-7H,3-4,13H2,1-2H3,(H2,14,19)(H2,15,21)(H,16,22)(H,17,20)(H,18,23)
InChIKeyZHRWYRKHIBLAQB-UHFFFAOYSA-N
MW330.35 g/mol
LogP-4.20
Rot. Bonds9

About 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide

2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide (PubChem CID 20833007) has the molecular formula C12H22N6O5 and a molecular weight of 330.35 g/mol. Its IUPAC name is 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
PubChem CID20833007
Molecular FormulaC12H22N6O5
Molecular Weight330.35 g/mol
Exact Mass330.17
IUPAC Name2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
SMILESCC(NC(=O)CNC(=O)C(C)NC(=O)C(N)CC(N)=O)C(N)=O
InChIInChI=1S/C12H22N6O5/c1-5(10(15)21)17-9(20)4-16-11(22)6(2)18-12(23)7(13)3-8(14)19/h5-7H,3-4,13H2,1-2H3,(H2,14,19)(H2,15,21)(H,16,22)(H,17,20)(H,18,23)
InChIKeyZHRWYRKHIBLAQB-UHFFFAOYSA-N
XLogP-4.20
TPSA199.50 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.35
LogP ≤ 5-4.20
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide 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

2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]acetic acid
CID 22652225
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]-3-methylbutanoic acid
CID 22652236
2-[[2-[[4-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]propanoic acid
CID 22653015
2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]propanoylamino]-3-methylbutanoic acid
CID 22654892
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]-4-methylsulfanylbutanoic acid
CID 22652230
2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 22658068
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid
CID 22652235
2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]propanoic acid
CID 18218968
2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]acetic acid
CID 175827009
3-amino-4-[(1-amino-1-oxopropan-2-yl)amino]-4-oxobutanoic acid;hydrate
CID 21447998
3-amino-4-[[1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246514
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[2-(3-hydroxypropylamino)-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]butanediamide
CID 89038414

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide?
The IUPAC name of 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide (CID 20833007) is 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide.
What is the SMILES notation for 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide?
The canonical SMILES for 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide is CC(NC(=O)CNC(=O)C(C)NC(=O)C(N)CC(N)=O)C(N)=O.
What is the InChIKey of 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide?
The InChIKey is ZHRWYRKHIBLAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O5/c1-5(10(15)21)17-9(20)4-16-11(22)6(2)18-12(23)7(13)3-8(14)19/h5-7H,3-4,13H2,1-2H3,(H2,14,19)(H2,15,21)(H,16,22)(H,17,20)(H,18,23).
What are the key properties of 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide?
2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide has a molecular weight of 330.35 g/mol, XLogP of -4.20, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide is sourced from PubChem (CID 20833007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).