2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid

C14H24N6O7 — CID 22652207

IUPAC2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid
SMILESCC(NC(=O)C(N)CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C14H24N6O7/c1-6(19-13(26)7(15)4-10(17)22)12(25)20-8(2-3-9(16)21)14(27)18-5-11(23)24/h6-8H,2-5,15H2,1H3,(H2,16,21)(H2,17,22)(H,18,27)(H,19,26)(H,20,25)(H,23,24)
InChIKeyQXWZGLBXSPEKCI-UHFFFAOYSA-N
MW388.38 g/mol
LogP-4.36
Rot. Bonds12

About 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid

2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid (PubChem CID 22652207) has the molecular formula C14H24N6O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid
PubChem CID22652207
Molecular FormulaC14H24N6O7
Molecular Weight388.38 g/mol
Exact Mass388.17
IUPAC Name2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid
SMILESCC(NC(=O)C(N)CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)O
InChIInChI=1S/C14H24N6O7/c1-6(19-13(26)7(15)4-10(17)22)12(25)20-8(2-3-9(16)21)14(27)18-5-11(23)24/h6-8H,2-5,15H2,1H3,(H2,16,21)(H2,17,22)(H,18,27)(H,19,26)(H,20,25)(H,23,24)
InChIKeyQXWZGLBXSPEKCI-UHFFFAOYSA-N
XLogP-4.36
TPSA236.80 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.38
LogP ≤ 5-4.36
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

5-(carboxymethylamino)-4-[2-[(2,5-diamino-5-oxopentanoyl)amino]propanoylamino]-5-oxopentanoic acid
CID 22700676
2-[[2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-4-methylsulfanylbutanoyl]amino]acetic acid
CID 22652324
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
4-[[3-carboxy-2-[(2,4-diamino-4-oxobutanoyl)amino]propanoyl]amino]-5-(carboxymethylamino)-5-oxopentanoic acid
CID 22653382
3-amino-4-[[5-amino-1-[[1-(1-carboxyethylamino)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18248899
2-[[5-amino-2-[[5-amino-2-[(2,4-diamino-4-oxobutanoyl)amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 22654593
2-[[(2S)-2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]propanoyl]amino]acetic acid
CID 25264078
2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 22652215
2-[[5-amino-2-[[2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]acetic acid
CID 22706542
2-[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxypropanoyl]amino]propanoylamino]acetic acid
CID 22658068
3-amino-4-[[5-amino-1-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18249039

Frequently Asked Questions

What is the IUPAC name of 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid?
The IUPAC name of 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid (CID 22652207) is 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid?
The canonical SMILES for 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid is CC(NC(=O)C(N)CC(N)=O)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)O.
What is the InChIKey of 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid?
The InChIKey is QXWZGLBXSPEKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O7/c1-6(19-13(26)7(15)4-10(17)22)12(25)20-8(2-3-9(16)21)14(27)18-5-11(23)24/h6-8H,2-5,15H2,1H3,(H2,16,21)(H2,17,22)(H,18,27)(H,19,26)(H,20,25)(H,23,24).
What are the key properties of 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid?
2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid has a molecular weight of 388.38 g/mol, XLogP of -4.36, 12 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]acetic acid is sourced from PubChem (CID 22652207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).