5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid

C15H25N5O8 — CID 22700676

IUPAC5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C15H25N5O8/c1-7(19-14(27)8(16)2-4-10(17)21)13(26)20-9(3-5-11(22)23)15(28)18-6-12(24)25/h7-9H,2-6,16H2,1H3,(H2,17,21)(H,18,28)(H,19,27)(H,20,26)(H,22,23)(H,24,25)
InChIKeyBQRZXYRPWUFDEC-UHFFFAOYSA-N
MW403.39 g/mol
LogP-3.37
Rot. Bonds13

About 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid

5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid (PubChem CID 22700676) has the molecular formula C15H25N5O8 and a molecular weight of 403.39 g/mol. Its IUPAC name is 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid
PubChem CID22700676
Molecular FormulaC15H25N5O8
Molecular Weight403.39 g/mol
Exact Mass403.17
IUPAC Name5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C15H25N5O8/c1-7(19-14(27)8(16)2-4-10(17)21)13(26)20-9(3-5-11(22)23)15(28)18-6-12(24)25/h7-9H,2-6,16H2,1H3,(H2,17,21)(H,18,28)(H,19,27)(H,20,26)(H,22,23)(H,24,25)
InChIKeyBQRZXYRPWUFDEC-UHFFFAOYSA-N
XLogP-3.37
TPSA231.01 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.39
LogP ≤ 5-3.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid
CID 22652207
4-amino-5-[[4-carboxy-1-[[1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
CID 18264453
2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
CID 25264078
5-(carboxymethylamino)-4-[[2-[(2,5-diamino-5-oxopentanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18480863
(4S)-5-[[(1R)-1-carboxyethyl]amino]-4-[[(2R)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 175912035
5-[[1-(carboxymethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoic acid
CID 18479009
4-amino-5-[[1-[[5-amino-1-[(1-carboxy-2-methylpropyl)amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 18262597
4-[[5-amino-2-[(2-amino-4-methylsulfanylbutanoyl)amino]-5-oxopentanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 18312744
4-amino-5-[[2-[[1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 18265240
2-[[5-amino-2-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]butanedioic acid
CID 22700692
2-[[5-amino-2-[[5-amino-2-[(2-amino-4-methylpentanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 22704955
3-amino-4-[[5-amino-1-[[3-carboxy-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18248966

Frequently Asked Questions

What is the IUPAC name of 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid (CID 22700676) is 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid is CC(NC(=O)C(N)CCC(N)=O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)O.
What is the InChIKey of 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The InChIKey is BQRZXYRPWUFDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O8/c1-7(19-14(27)8(16)2-4-10(17)21)13(26)20-9(3-5-11(22)23)15(28)18-6-12(24)25/h7-9H,2-6,16H2,1H3,(H2,17,21)(H,18,28)(H,19,27)(H,20,26)(H,22,23)(H,24,25).
What are the key properties of 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid?
5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid has a molecular weight of 403.39 g/mol, XLogP of -3.37, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 22700676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).