2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid

C13H24N6O5 — CID 178159241

IUPAC2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid
SMILESCC(=O)CC(NC(=O)CNC(=O)C(N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C13H24N6O5/c1-7(20)5-9(12(23)24)19-10(21)6-18-11(22)8(14)3-2-4-17-13(15)16/h8-9H,2-6,14H2,1H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)
InChIKeyJEHLZAWPVVTNAB-UHFFFAOYSA-N
MW344.37 g/mol
LogP-2.97
Rot. Bonds11

About 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid

2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid (PubChem CID 178159241) has the molecular formula C13H24N6O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid
PubChem CID178159241
Molecular FormulaC13H24N6O5
Molecular Weight344.37 g/mol
Exact Mass344.18
IUPAC Name2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid
SMILESCC(=O)CC(NC(=O)CNC(=O)C(N)CCCN=C(N)N)C(=O)O
InChIInChI=1S/C13H24N6O5/c1-7(20)5-9(12(23)24)19-10(21)6-18-11(22)8(14)3-2-4-17-13(15)16/h8-9H,2-6,14H2,1H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17)
InChIKeyJEHLZAWPVVTNAB-UHFFFAOYSA-N
XLogP-2.97
TPSA202.99 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.37
LogP ≤ 5-2.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid with MolForge

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Related Compounds

2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 163422398
(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-carboxypropanoyl]amino]acetyl]amino]butanedioic acid
CID 175757732
(2S)-2-[[2-[[2-[[2-[[(2S)-2-[[2-[[2-[[2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 11593082
2-[[2-[(2-amino-3-carboxypropanoyl)amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18219496
2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]butanedioic acid
CID 18243537
6-amino-2-[[2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
CID 18305116
2-[[6-amino-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18305296
2-[[3-carboxy-2-[[2-(2,6-diaminohexanoylamino)acetyl]amino]propanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 18305146
2-[[2-[[2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]butanedioic acid
CID 90824975
(2S)-2-[[2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 145454739
4-amino-2-[[2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid
CID 22650632
5-amino-2-[[4-amino-2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoic acid
CID 18243349

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid?
The IUPAC name of 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid (CID 178159241) is 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid.
What is the SMILES notation for 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid?
The canonical SMILES for 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid is CC(=O)CC(NC(=O)CNC(=O)C(N)CCCN=C(N)N)C(=O)O.
What is the InChIKey of 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid?
The InChIKey is JEHLZAWPVVTNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O5/c1-7(20)5-9(12(23)24)19-10(21)6-18-11(22)8(14)3-2-4-17-13(15)16/h8-9H,2-6,14H2,1H3,(H,18,22)(H,19,21)(H,23,24)(H4,15,16,17).
What are the key properties of 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid?
2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid has a molecular weight of 344.37 g/mol, XLogP of -2.97, 11 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]-4-oxopentanoic acid is sourced from PubChem (CID 178159241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).