(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide

C13H22N6O6 — CID 71358548

IUPAC(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
SMILESCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C13H22N6O6/c1-7(13(25)18-5-11(23)16-3-9(14)21)19-12(24)6-17-10(22)4-15-8(2)20/h7H,3-6H2,1-2H3,(H2,14,21)(H,15,20)(H,16,23)(H,17,22)(H,18,25)(H,19,24)/t7-/m0/s1
InChIKeyZZURVUKGQXDFCO-ZETCQYMHSA-N
MW358.36 g/mol
LogP-4.54
Rot. Bonds10

About (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide

(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide (PubChem CID 71358548) has the molecular formula C13H22N6O6 and a molecular weight of 358.36 g/mol. Its IUPAC name is (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
PubChem CID71358548
Molecular FormulaC13H22N6O6
Molecular Weight358.36 g/mol
Exact Mass358.16
IUPAC Name(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
SMILESCC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)NCC(N)=O
InChIInChI=1S/C13H22N6O6/c1-7(13(25)18-5-11(23)16-3-9(14)21)19-12(24)6-17-10(22)4-15-8(2)20/h7H,3-6H2,1-2H3,(H2,14,21)(H,15,20)(H,16,23)(H,17,22)(H,18,25)(H,19,24)/t7-/m0/s1
InChIKeyZZURVUKGQXDFCO-ZETCQYMHSA-N
XLogP-4.54
TPSA188.59 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.36
LogP ≤ 5-4.54
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide with MolForge

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Related Compounds

(2S)-2-acetamido-N-[(2S)-1-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]propanamide
CID 11130860
methyl (2R)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]propanoate
CID 134741415
(2S)-N-(2-amino-2-oxoethyl)-2-(propanoylamino)propanamide
CID 138691369
methyl 2-[(2-acetamidoacetyl)amino]propanoate
CID 3128467
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 101176077
(2S)-2-[[2-[[2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 71443016
(2S)-2-[[(2R)-2-[[(2S)-2-[[2-[[(2S)-2-acetamidopropanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]propanoic acid
CID 71351346
2-[[2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]propanoyl]amino]propanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 101151663
2-[2-[[2-[[2-[2-(2-aminopropanoylamino)propanoylamino]acetyl]amino]acetyl]amino]propanoylamino]propanoic acid
CID 22008190
2-amino-N-[1-[[2-[(1-amino-1-oxopropan-2-yl)amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]butanediamide
CID 20833007
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]acetyl]amino]acetic acid
CID 22652225
2-[[2-[[2-(propan-2-ylamino)acetyl]amino]acetyl]amino]acetamide
CID 174356714

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide?
The IUPAC name of (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide (CID 71358548) is (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide.
What is the SMILES notation for (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide?
The canonical SMILES for (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide is CC(=O)NCC(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)NCC(N)=O.
What is the InChIKey of (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide?
The InChIKey is ZZURVUKGQXDFCO-ZETCQYMHSA-N. The full InChI is InChI=1S/C13H22N6O6/c1-7(13(25)18-5-11(23)16-3-9(14)21)19-12(24)6-17-10(22)4-15-8(2)20/h7H,3-6H2,1-2H3,(H2,14,21)(H,15,20)(H,16,23)(H,17,22)(H,18,25)(H,19,24)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide?
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide has a molecular weight of 358.36 g/mol, XLogP of -4.54, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide is sourced from PubChem (CID 71358548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).