2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid

C13H23N5O6 — CID 18235107

IUPAC2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
SMILESCC(N)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H23N5O6/c1-6(14)11(21)18-8(3-4-9(15)19)12(22)16-5-10(20)17-7(2)13(23)24/h6-8H,3-5,14H2,1-2H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21)(H,23,24)
InChIKeyDYRSNTRRVWZLJW-UHFFFAOYSA-N
MW345.36 g/mol
LogP-3.21
Rot. Bonds10

About 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid

2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid (PubChem CID 18235107) has the molecular formula C13H23N5O6 and a molecular weight of 345.36 g/mol. Its IUPAC name is 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
PubChem CID18235107
Molecular FormulaC13H23N5O6
Molecular Weight345.36 g/mol
Exact Mass345.16
IUPAC Name2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
SMILESCC(N)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)O
InChIInChI=1S/C13H23N5O6/c1-6(14)11(21)18-8(3-4-9(15)19)12(22)16-5-10(20)17-7(2)13(23)24/h6-8H,3-5,14H2,1-2H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21)(H,23,24)
InChIKeyDYRSNTRRVWZLJW-UHFFFAOYSA-N
XLogP-3.21
TPSA193.71 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 5-3.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid with MolForge

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Related Compounds

3-amino-4-[[5-amino-1-[[2-(1-carboxyethylamino)-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoic acid
CID 18249039
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]-3-methylbutanoic acid
CID 18235126
(3S)-4-[[2-[[2-[[(2S)-1-[[(2S)-5-amino-1-[[2-[[(2S,3R)-1-[[(1S)-1-carboxyethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-[[(2S)-2-aminopropanoyl]amino]-4-oxobutanoic acid
CID 134826204
(2S)-2-[[2-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]acetyl]amino]propanoic acid
CID 25062155
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]acetyl]amino]-5-oxopentanoic acid
CID 18237484
2-[[2-[[2-(2-aminopropanoylamino)-4-methylsulfanylbutanoyl]amino]acetyl]amino]propanoic acid
CID 18237478
2-[[5-amino-2-[[2-(2-aminopropanoylamino)acetyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoic acid
CID 18235493
(2S)-6-amino-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2R)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]hexanoic acid
CID 175761703
(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]propanoic acid
CID 102528239
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]propanoic acid
CID 18235047
(2S)-2-[[(2S)-5-amino-2-[[2-[[(2S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-oxopentanoyl]amino]propanoic acid
CID 15980176
2-[[2-[[4-amino-2-(2-aminopropanoylamino)-4-oxobutanoyl]amino]acetyl]amino]pentanedioic acid
CID 18233519

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The IUPAC name of 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid (CID 18235107) is 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid.
What is the SMILES notation for 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The canonical SMILES for 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid is CC(N)C(=O)NC(CCC(N)=O)C(=O)NCC(=O)NC(C)C(=O)O.
What is the InChIKey of 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
The InChIKey is DYRSNTRRVWZLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O6/c1-6(14)11(21)18-8(3-4-9(15)19)12(22)16-5-10(20)17-7(2)13(23)24/h6-8H,3-5,14H2,1-2H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21)(H,23,24).
What are the key properties of 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid?
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid has a molecular weight of 345.36 g/mol, XLogP of -3.21, 10 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]acetyl]amino]propanoic acid is sourced from PubChem (CID 18235107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).