[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid

C5H15N4O3P — CID 71563402

IUPAC[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
SMILESNC(N)=NCCC[C@H](N)P(=O)(O)O
InChIInChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1
InChIKeyMMEPWCMDQUSOLC-SCSAIBSYSA-N
MW210.17 g/mol
LogP-1.50
Rot. Bonds5

About [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid

[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid (PubChem CID 71563402) has the molecular formula C5H15N4O3P and a molecular weight of 210.17 g/mol. Its IUPAC name is [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid.

Molecular Properties

Compound Name[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
PubChem CID71563402
Molecular FormulaC5H15N4O3P
Molecular Weight210.17 g/mol
Exact Mass210.09
IUPAC Name[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid
SMILESNC(N)=NCCC[C@H](N)P(=O)(O)O
InChIInChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1
InChIKeyMMEPWCMDQUSOLC-SCSAIBSYSA-N
XLogP-1.50
TPSA147.95 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 5-1.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

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'}

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Related Compounds

2-(4-amino-4-phosphorosobutyl)guanidine
CID 89493357
(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl bromide
CID 148549372
trisodium;tris((2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid);phosphate
CID 173326115
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;2-aminoethyl dihydrogen phosphate
CID 138397398
(2S)-2-[bis(phosphonomethyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 25153759
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 162085050
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
2-amino-5-(diaminomethylideneamino)pentanoic acid;ruthenium(2+)
CID 23025269
2-amino-5-(diaminomethylideneamino)pentanoic acid;carbonic acid
CID 10198591
(2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;methane
CID 146220305
(2R)-2-amino-5-(diamino(113C)methylideneamino)(1,2,3,4,5-13C5)pentanoic acid;hydrochloride
CID 135705200

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid?
The IUPAC name of [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid (CID 71563402) is [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid.
What is the SMILES notation for [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid?
The canonical SMILES for [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid is NC(N)=NCCC[C@H](N)P(=O)(O)O.
What is the InChIKey of [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid?
The InChIKey is MMEPWCMDQUSOLC-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H15N4O3P/c6-4(13(10,11)12)2-1-3-9-5(7)8/h4H,1-3,6H2,(H4,7,8,9)(H2,10,11,12)/t4-/m1/s1.
What are the key properties of [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid?
[(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid has a molecular weight of 210.17 g/mol, XLogP of -1.50, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-amino-4-(diaminomethylideneamino)butyl]phosphonic acid is sourced from PubChem (CID 71563402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).