5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid

C11H20N4O6 — CID 18223791

IUPAC5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O6/c1-5(14-10(19)6(12)4-16)9(18)15-7(11(20)21)2-3-8(13)17/h5-7,16H,2-4,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)
InChIKeyMMGJPDWSIOAGTH-UHFFFAOYSA-N
MW304.30 g/mol
LogP-3.35
Rot. Bonds9

About 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid

5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid (PubChem CID 18223791) has the molecular formula C11H20N4O6 and a molecular weight of 304.30 g/mol. Its IUPAC name is 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
PubChem CID18223791
Molecular FormulaC11H20N4O6
Molecular Weight304.30 g/mol
Exact Mass304.14
IUPAC Name5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid
SMILESCC(NC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C11H20N4O6/c1-5(14-10(19)6(12)4-16)9(18)15-7(11(20)21)2-3-8(13)17/h5-7,16H,2-4,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21)
InChIKeyMMGJPDWSIOAGTH-UHFFFAOYSA-N
XLogP-3.35
TPSA184.84 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.30
LogP ≤ 5-3.35
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-2-[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxybutanoyl]amino]propanoylamino]-5-oxopentanoic acid
CID 18743506
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
CID 23077146
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 145457930
2-[[5-amino-2-[2-[(2,4-diamino-4-oxobutanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 22652215
3-amino-4-[[1-[[5-amino-1-[(1-carboxy-2-hydroxyethyl)amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 18246642
5-amino-2-[[5-amino-2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
CID 22702581
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 145458818
2-[[5-amino-2-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18246632
5-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 18743306
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-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18232717
5-amino-2-[[2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18743486

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid (CID 18223791) is 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid is CC(NC(=O)C(N)CO)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid?
The InChIKey is MMGJPDWSIOAGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O6/c1-5(14-10(19)6(12)4-16)9(18)15-7(11(20)21)2-3-8(13)17/h5-7,16H,2-4,12H2,1H3,(H2,13,17)(H,14,19)(H,15,18)(H,20,21).
What are the key properties of 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid?
5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid has a molecular weight of 304.30 g/mol, XLogP of -3.35, 9 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-[(2-amino-3-hydroxypropanoyl)amino]propanoylamino]-5-oxopentanoic acid is sourced from PubChem (CID 18223791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).