[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate

C16H28N6O7 — CID 174966771

IUPAC[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate
SMILESCC(N)C(=O)NC(CCC(N)=O)C(=O)OC(=O)C(CCC(N)=O)NC(=O)C(C)N
InChIInChI=1S/C16H28N6O7/c1-7(17)13(25)21-9(3-5-11(19)23)15(27)29-16(28)10(4-6-12(20)24)22-14(26)8(2)18/h7-10H,3-6,17-18H2,1-2H3,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26)
InChIKeyMSBSBGWGMOGGEL-UHFFFAOYSA-N
MW416.44 g/mol
LogP-3.75
Rot. Bonds12

About [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate

[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate (PubChem CID 174966771) has the molecular formula C16H28N6O7 and a molecular weight of 416.44 g/mol. Its IUPAC name is [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate.

Molecular Properties

Compound Name[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate
PubChem CID174966771
Molecular FormulaC16H28N6O7
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC Name[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate
SMILESCC(N)C(=O)NC(CCC(N)=O)C(=O)OC(=O)C(CCC(N)=O)NC(=O)C(C)N
InChIInChI=1S/C16H28N6O7/c1-7(17)13(25)21-9(3-5-11(19)23)15(27)29-16(28)10(4-6-12(20)24)22-14(26)8(2)18/h7-10H,3-6,17-18H2,1-2H3,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26)
InChIKeyMSBSBGWGMOGGEL-UHFFFAOYSA-N
XLogP-3.75
TPSA239.79 Ų
H-Bond Donors6
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.44
LogP ≤ 5-3.75
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-5-amino-2-[[(2S)-2-aminopropanoyl]amino]-5-oxopentanoic acid;ethane
CID 178159244
heptadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoate
CID 25264840
5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoic acid
CID 23077146
octadecyl (2S)-5-amino-2-[[(2R)-2-aminopropanoyl]amino]-5-oxopentanoate;hydrochloride
CID 10413852
5-amino-2-[[2-(2-aminopropanoylamino)-4-carboxybutanoyl]amino]-5-oxopentanoic acid
CID 18218348
2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]pentanedioic acid
CID 18235072
(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid
CID 145453616
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18240507
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid
CID 18235053
5-amino-2-[[2-[[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl]amino]-3-carboxypropanoyl]amino]-5-oxopentanoic acid
CID 18235033
5-amino-2-[[2-[[2-(2-aminopropanoylamino)-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid
CID 18236539
2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-hydroxypropanoic acid
CID 18232717

Frequently Asked Questions

What is the IUPAC name of [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate?
The IUPAC name of [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate (CID 174966771) is [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate.
What is the SMILES notation for [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate?
The canonical SMILES for [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate is CC(N)C(=O)NC(CCC(N)=O)C(=O)OC(=O)C(CCC(N)=O)NC(=O)C(C)N.
What is the InChIKey of [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate?
The InChIKey is MSBSBGWGMOGGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O7/c1-7(17)13(25)21-9(3-5-11(19)23)15(27)29-16(28)10(4-6-12(20)24)22-14(26)8(2)18/h7-10H,3-6,17-18H2,1-2H3,(H2,19,23)(H2,20,24)(H,21,25)(H,22,26).
What are the key properties of [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate?
[5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate has a molecular weight of 416.44 g/mol, XLogP of -3.75, 12 rotatable bonds, 6 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-2-(2-aminopropanoylamino)-5-oxopentanoyl] 5-amino-2-(2-aminopropanoylamino)-5-oxopentanoate is sourced from PubChem (CID 174966771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).