5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid

C9H19N4O6P — CID 87477675

IUPAC5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
SMILESC=CC(N(O)C(CCCN=C(N)N)C(=O)O)P(=O)(O)O
InChIInChI=1S/C9H19N4O6P/c1-2-7(20(17,18)19)13(16)6(8(14)15)4-3-5-12-9(10)11/h2,6-7,16H,1,3-5H2,(H,14,15)(H4,10,11,12)(H2,17,18,19)
InChIKeyPPYGXXVJOPGPDK-UHFFFAOYSA-N
MW310.25 g/mol
LogP-1.13
Rot. Bonds9

About 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid

5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid (PubChem CID 87477675) has the molecular formula C9H19N4O6P and a molecular weight of 310.25 g/mol. Its IUPAC name is 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
PubChem CID87477675
Molecular FormulaC9H19N4O6P
Molecular Weight310.25 g/mol
Exact Mass310.10
IUPAC Name5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid
SMILESC=CC(N(O)C(CCCN=C(N)N)C(=O)O)P(=O)(O)O
InChIInChI=1S/C9H19N4O6P/c1-2-7(20(17,18)19)13(16)6(8(14)15)4-3-5-12-9(10)11/h2,6-7,16H,1,3-5H2,(H,14,15)(H4,10,11,12)(H2,17,18,19)
InChIKeyPPYGXXVJOPGPDK-UHFFFAOYSA-N
XLogP-1.13
TPSA182.70 Ų
H-Bond Donors6
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.25
LogP ≤ 5-1.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 105

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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid 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

(2S)-2-[bis(phosphonomethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25153759
(2R)-5-(diaminomethylideneamino)-2-[hydroxy(methyl)amino]pentanoic acid
CID 57242518
(2S)-2-[bis(1-phosphonoprop-2-enyl)amino]-5-(diaminomethylideneamino)-2-methylpentanoic acid
CID 87494090
2-[carboxy(ethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87725299
2-[bromo(chloro)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 44815136
5-amino-2-[bis(1-phosphonoprop-2-enyl)amino]-5-oxopentanoic acid
CID 87490662
(2S)-2-[bis(2-hydroxyethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 87394286
[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
CID 71563402
(2R)-6-(diaminomethylideneamino)-2-(diethylamino)hexanoic acid
CID 18391752
tris([(1S)-1-carboxy-4-(diaminomethylideneamino)butyl]azanium);phosphate
CID 131716335
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
5-(diaminomethylideneamino)-2-(didecylamino)pentanoic acid
CID 177260030

Frequently Asked Questions

What is the IUPAC name of 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid?
The IUPAC name of 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid (CID 87477675) is 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid.
What is the SMILES notation for 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid?
The canonical SMILES for 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid is C=CC(N(O)C(CCCN=C(N)N)C(=O)O)P(=O)(O)O.
What is the InChIKey of 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid?
The InChIKey is PPYGXXVJOPGPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N4O6P/c1-2-7(20(17,18)19)13(16)6(8(14)15)4-3-5-12-9(10)11/h2,6-7,16H,1,3-5H2,(H,14,15)(H4,10,11,12)(H2,17,18,19).
What are the key properties of 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid?
5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid has a molecular weight of 310.25 g/mol, XLogP of -1.13, 9 rotatable bonds, 6 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diaminomethylideneamino)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanoic acid is sourced from PubChem (CID 87477675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).