5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

C16H27N5O8 — CID 18232688

IUPAC5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C16H27N5O8/c1-7(17)13(25)19-8(2)14(26)20-9(4-6-12(23)24)15(27)21-10(16(28)29)3-5-11(18)22/h7-10H,3-6,17H2,1-2H3,(H2,18,22)(H,19,25)(H,20,26)(H,21,27)(H,23,24)(H,28,29)
InChIKeyUZGHVZOUPNMGMG-UHFFFAOYSA-N
MW417.42 g/mol
LogP-2.98
Rot. Bonds13

About 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid (PubChem CID 18232688) has the molecular formula C16H27N5O8 and a molecular weight of 417.42 g/mol. Its IUPAC name is 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
PubChem CID18232688
Molecular FormulaC16H27N5O8
Molecular Weight417.42 g/mol
Exact Mass417.19
IUPAC Name5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid
SMILESCC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O
InChIInChI=1S/C16H27N5O8/c1-7(17)13(25)19-8(2)14(26)20-9(4-6-12(23)24)15(27)21-10(16(28)29)3-5-11(18)22/h7-10H,3-6,17H2,1-2H3,(H2,18,22)(H,19,25)(H,20,26)(H,21,27)(H,23,24)(H,28,29)
InChIKeyUZGHVZOUPNMGMG-UHFFFAOYSA-N
XLogP-2.98
TPSA231.01 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 5-2.98
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Analyze 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid 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-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
CID 23077146
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18235033
2-[[5-amino-2-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-5-oxopentanoyl]amino]pentanedioic acid
CID 18246632
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoic acid
CID 11247800
2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18232717
4-amino-2-[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]propanoylamino]-4-oxobutanoic acid
CID 18234969
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-methylsulfanylbutanoyl]amino]-5-oxopentanoic acid
CID 18232828
(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-aminopropanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-oxopentanoic acid
CID 71445994
2-[2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]propanoylamino]-4-methylpentanoic acid
CID 18234583
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoyl]amino]pentanedioic acid
CID 145453522

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid (CID 18232688) is 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid is CC(N)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(N)=O)C(=O)O.
What is the InChIKey of 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid?
The InChIKey is UZGHVZOUPNMGMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O8/c1-7(17)13(25)19-8(2)14(26)20-9(4-6-12(23)24)15(27)21-10(16(28)29)3-5-11(18)22/h7-10H,3-6,17H2,1-2H3,(H2,18,22)(H,19,25)(H,20,26)(H,21,27)(H,23,24)(H,28,29).
What are the key properties of 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid?
5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid has a molecular weight of 417.42 g/mol, XLogP of -2.98, 13 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid is sourced from PubChem (CID 18232688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).