5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid

C59H112N16O15 — CID 158159026

IUPAC5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid
SMILESC=C(O)CCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.C=C(O)CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C16H30N4O4.C15H28N4O4.C14H26N4O4.C14H28N4O3/c1-12(21)8-5-3-2-4-6-10-14(22)20-13(15(23)24)9-7-11-19-16(17)18;1-11(20)7-4-2-3-5-9-13(21)19-12(14(22)23)8-6-10-18-15(16)17;1-10(19)6-3-2-4-8-12(20)18-11(13(21)22)7-5-9-17-14(15)16;1-2-3-4-5-6-9-12(19)18-11(13(20)21)8-7-10-17-14(15)16/h13,21H,1-11H2,(H,20,22)(H,23,24)(H4,17,18,19);12H,2-10H2,1H3,(H,19,21)(H,22,23)(H4,16,17,18);11,19H,1-9H2,(H,18,20)(H,21,22)(H4,15,16,17);11H,2-10H2,1H3,(H,18,19)(H,20,21)(H4,15,16,17)
InChIKeyFWASGNVVZAIREO-UHFFFAOYSA-N
MW1285.64 g/mol
LogP3.55
Rot. Bonds51

About 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid

5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid (PubChem CID 158159026) has the molecular formula C59H112N16O15 and a molecular weight of 1285.64 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid
PubChem CID158159026
Molecular FormulaC59H112N16O15
Molecular Weight1285.64 g/mol
Exact Mass1284.85
IUPAC Name5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid
SMILESC=C(O)CCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.C=C(O)CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O
InChIInChI=1S/C16H30N4O4.C15H28N4O4.C14H26N4O4.C14H28N4O3/c1-12(21)8-5-3-2-4-6-10-14(22)20-13(15(23)24)9-7-11-19-16(17)18;1-11(20)7-4-2-3-5-9-13(21)19-12(14(22)23)8-6-10-18-15(16)17;1-10(19)6-3-2-4-8-12(20)18-11(13(21)22)7-5-9-17-14(15)16;1-2-3-4-5-6-9-12(19)18-11(13(20)21)8-7-10-17-14(15)16/h13,21H,1-11H2,(H,20,22)(H,23,24)(H4,17,18,19);12H,2-10H2,1H3,(H,19,21)(H,22,23)(H4,16,17,18);11,19H,1-9H2,(H,18,20)(H,21,22)(H4,15,16,17);11H,2-10H2,1H3,(H,18,19)(H,20,21)(H4,15,16,17)
InChIKeyFWASGNVVZAIREO-UHFFFAOYSA-N
XLogP3.55
TPSA580.73 Ų
H-Bond Donors18
H-Bond Acceptors15
Rotatable Bonds51
Heavy Atoms90
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.64
LogP ≤ 53.55
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid with MolForge

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Related Compounds

(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-(octanoylamino)pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 15953757
(2S)-4-(diaminomethylideneamino)-2-(octanoylamino)butanoic acid
CID 171116627
N-[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]undecanamide
CID 155426715
acetic acid;ethyl (2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoate
CID 72941622
(2S)-5-(diaminomethylideneamino)-2-(dodecanoylamino)pentanoic acid;2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87222379
8-[[(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]amino]-8-oxooctanoic acid
CID 118550139
N-[(2S)-1-[10-[[(2S)-2-(decanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]decylamino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide
CID 102585613
N-[(2S)-5-(diaminomethylideneamino)-1-(dodecylamino)-1-oxopentan-2-yl]icosanamide
CID 135363876
N-[(2S)-5-(diaminomethylideneamino)-1-(octylamino)-1-oxopentan-2-yl]hexadecanamide
CID 135364119
methyl (2S)-5-(diaminomethylideneamino)-2-(tridecanoylamino)pentanoate
CID 101199795
N-[5-(diaminomethylideneamino)-1-(octylamino)-1-oxopentan-2-yl]hexadecanamide;hydrochloride
CID 135364121
N-[(2S)-5-(diaminomethylideneamino)-1-(dodecylamino)-1-oxopentan-2-yl]docosanamide;hydrochloride
CID 135363823

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid (CID 158159026) is 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid is C=C(O)CCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.C=C(O)CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CC(=O)CCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.CCCCCCCC(=O)NC(CCCN=C(N)N)C(=O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid?
The InChIKey is FWASGNVVZAIREO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O4.C15H28N4O4.C14H26N4O4.C14H28N4O3/c1-12(21)8-5-3-2-4-6-10-14(22)20-13(15(23)24)9-7-11-19-16(17)18;1-11(20)7-4-2-3-5-9-13(21)19-12(14(22)23)8-6-10-18-15(16)17;1-10(19)6-3-2-4-8-12(20)18-11(13(21)22)7-5-9-17-14(15)16;1-2-3-4-5-6-9-12(19)18-11(13(20)21)8-7-10-17-14(15)16/h13,21H,1-11H2,(H,20,22)(H,23,24)(H4,17,18,19);12H,2-10H2,1H3,(H,19,21)(H,22,23)(H4,16,17,18);11,19H,1-9H2,(H,18,20)(H,21,22)(H4,15,16,17);11H,2-10H2,1H3,(H,18,19)(H,20,21)(H4,15,16,17).
What are the key properties of 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid?
5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid has a molecular weight of 1285.64 g/mol, XLogP of 3.55, 51 rotatable bonds, 18 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-(9-hydroxydec-9-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(7-hydroxyoct-7-enoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(octanoylamino)pentanoic acid;5-(diaminomethylideneamino)-2-(8-oxononanoylamino)pentanoic acid is sourced from PubChem (CID 158159026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).