[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate

C14H24N5O6P — CID 156647207

IUPAC[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
SMILESNC(N)=NCCCCNC(=O)C(N)Cc1ccc(OP(=O)(O)O)c(O)c1
InChIInChI=1S/C14H24N5O6P/c15-10(13(21)18-5-1-2-6-19-14(16)17)7-9-3-4-12(11(20)8-9)25-26(22,23)24/h3-4,8,10,20H,1-2,5-7,15H2,(H,18,21)(H4,16,17,19)(H2,22,23,24)
InChIKeyZEHXZVUGOOUMSN-UHFFFAOYSA-N
MW389.35 g/mol
LogP-1.10
Rot. Bonds10

About [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate

[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate (PubChem CID 156647207) has the molecular formula C14H24N5O6P and a molecular weight of 389.35 g/mol. Its IUPAC name is [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate.

Molecular Properties

Compound Name[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
PubChem CID156647207
Molecular FormulaC14H24N5O6P
Molecular Weight389.35 g/mol
Exact Mass389.15
IUPAC Name[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
SMILESNC(N)=NCCCCNC(=O)C(N)Cc1ccc(OP(=O)(O)O)c(O)c1
InChIInChI=1S/C14H24N5O6P/c15-10(13(21)18-5-1-2-6-19-14(16)17)7-9-3-4-12(11(20)8-9)25-26(22,23)24/h3-4,8,10,20H,1-2,5-7,15H2,(H,18,21)(H4,16,17,19)(H2,22,23,24)
InChIKeyZEHXZVUGOOUMSN-UHFFFAOYSA-N
XLogP-1.10
TPSA206.51 Ų
H-Bond Donors7
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 5-1.10
H-Bond Donors ≤ 57
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'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-amino-3-[2-(4-hydroxyphenyl)ethylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate
CID 156647221
(2S)-2-amino-N-(3-aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 61275867
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-propylpropanamide
CID 61149359
2-(2-acetylhydrazinyl)-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
CID 165117035
(2S)-2-amino-6-[[(2S)-2-amino-6-(diaminomethylideneamino)hexanoyl]amino]hexanamide
CID 141439784
acetic acid;2-amino-N-[10-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]decyl]-5-(diaminomethylideneamino)pentanamide
CID 54604077
(2S)-2-amino-N-[3-(3,4-dimethoxyphenyl)propyl]-3-phenylpropanamide;hydrochloride
CID 119306736
methyl (2R)-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoate
CID 21120435
(2R)-2-amino-N-(4-aminobutyl)-3-(4-hydroxyphenyl)propanamide
CID 104904980
(2S)-2-amino-N-(3-cyclopropylpropyl)-3-(3,4-dihydroxyphenyl)propanamide
CID 104876669
2-amino-3-(3-ethenyl-4-phosphonooxyphenyl)propanoic acid
CID 46184886
2-[2-(3-aminopropanoyl)hydrazinyl]-3-(3-hydroxy-4-phosphonooxyphenyl)propanoic acid
CID 165116850

Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate?
The IUPAC name of [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate (CID 156647207) is [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate.
What is the SMILES notation for [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate?
The canonical SMILES for [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate is NC(N)=NCCCCNC(=O)C(N)Cc1ccc(OP(=O)(O)O)c(O)c1.
What is the InChIKey of [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate?
The InChIKey is ZEHXZVUGOOUMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N5O6P/c15-10(13(21)18-5-1-2-6-19-14(16)17)7-9-3-4-12(11(20)8-9)25-26(22,23)24/h3-4,8,10,20H,1-2,5-7,15H2,(H,18,21)(H4,16,17,19)(H2,22,23,24).
What are the key properties of [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate?
[4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate has a molecular weight of 389.35 g/mol, XLogP of -1.10, 10 rotatable bonds, 7 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-3-[4-(diaminomethylideneamino)butylamino]-3-oxopropyl]-2-hydroxyphenyl] dihydrogen phosphate is sourced from PubChem (CID 156647207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).