pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate

C12H26N8O3 — CID 173236430

IUPACpentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate
SMILESCCCCC(=O)OC(=O)[C@@H](N)CCC(N=C(N)N)N=C(N)NN
InChIInChI=1S/C12H26N8O3/c1-2-3-4-9(21)23-10(22)7(13)5-6-8(18-11(14)15)19-12(16)20-17/h7-8H,2-6,13,17H2,1H3,(H4,14,15,18)(H3,16,19,20)/t7-,8?/m0/s1
InChIKeyBAEVOLQUNJQLQL-JAMMHHFISA-N
MW330.39 g/mol
LogP-2.27
Rot. Bonds9

About pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate

pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate (PubChem CID 173236430) has the molecular formula C12H26N8O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate.

Molecular Properties

Compound Namepentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate
PubChem CID173236430
Molecular FormulaC12H26N8O3
Molecular Weight330.39 g/mol
Exact Mass330.21
IUPAC Namepentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate
SMILESCCCCC(=O)OC(=O)[C@@H](N)CCC(N=C(N)N)N=C(N)NN
InChIInChI=1S/C12H26N8O3/c1-2-3-4-9(21)23-10(22)7(13)5-6-8(18-11(14)15)19-12(16)20-17/h7-8H,2-6,13,17H2,1H3,(H4,14,15,18)(H3,16,19,20)/t7-,8?/m0/s1
InChIKeyBAEVOLQUNJQLQL-JAMMHHFISA-N
XLogP-2.27
TPSA210.22 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.39
LogP ≤ 5-2.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl] octanoate
CID 57060583
[(2R)-2,5-diaminopentanoyl] hexanoate
CID 57208303
dioctadecanoyl (2S)-2-aminopentanedioate
CID 57221683
3-(hexadecanoylamino)propanoyl (2S)-2-amino-5-(diaminomethylideneamino)pentanoate
CID 87730101
tetrasodium;ditetradecanoyl (2S)-2-aminopentanedioate;hydride
CID 175312951
4-amino-5-oxo-5-tetracosanoyloxypentanoic acid
CID 170430901
(4S)-4-amino-5-octanoyloxy-5-oxopentanoic acid
CID 87093144
4-amino-5-dodecanoyloxy-5-oxopentanoic acid;octadecanamide
CID 87706708
5-O-hexanoyl 1-O-methyl (2S)-2-aminopentanedioate
CID 135151670
1-O-(2-aminoacetyl) 5-O-dodecanoyl (2S)-2-aminopentanedioate
CID 174825686
dipotassium bis((4S)-4-amino-5-hexanoyloxy-5-oxopentanoate)
CID 142746686
bis[(2S)-2-amino-4-hydroxybutanoyl] butanedioate
CID 91277760

Frequently Asked Questions

What is the IUPAC name of pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate?
The IUPAC name of pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate (CID 173236430) is pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate.
What is the SMILES notation for pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate?
The canonical SMILES for pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate is CCCCC(=O)OC(=O)[C@@H](N)CCC(N=C(N)N)N=C(N)NN.
What is the InChIKey of pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate?
The InChIKey is BAEVOLQUNJQLQL-JAMMHHFISA-N. The full InChI is InChI=1S/C12H26N8O3/c1-2-3-4-9(21)23-10(22)7(13)5-6-8(18-11(14)15)19-12(16)20-17/h7-8H,2-6,13,17H2,1H3,(H4,14,15,18)(H3,16,19,20)/t7-,8?/m0/s1.
What are the key properties of pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate?
pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate has a molecular weight of 330.39 g/mol, XLogP of -2.27, 9 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for pentanoyl (2S)-2-amino-5-[[amino(hydrazinyl)methylidene]amino]-5-(diaminomethylideneamino)pentanoate is sourced from PubChem (CID 173236430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).