2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid

C6H13N4O3P — CID 118548738

IUPAC2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCCC(N)C(=O)O)NP=O
InChIInChI=1S/C6H13N4O3P/c7-4(5(11)12)2-1-3-9-6(8)10-14-13/h4H,1-3,7H2,(H,11,12)(H3,8,9,10,13)
InChIKeyDWYSOBBIVWILKB-UHFFFAOYSA-N
MW220.17 g/mol
LogP-0.71
Rot. Bonds6

About 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid

2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid (PubChem CID 118548738) has the molecular formula C6H13N4O3P and a molecular weight of 220.17 g/mol. Its IUPAC name is 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
PubChem CID118548738
Molecular FormulaC6H13N4O3P
Molecular Weight220.17 g/mol
Exact Mass220.07
IUPAC Name2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid
SMILESN/C(=N\CCCC(N)C(=O)O)NP=O
InChIInChI=1S/C6H13N4O3P/c7-4(5(11)12)2-1-3-9-6(8)10-14-13/h4H,1-3,7H2,(H,11,12)(H3,8,9,10,13)
InChIKeyDWYSOBBIVWILKB-UHFFFAOYSA-N
XLogP-0.71
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

(2S)-2-amino-5-[[amino-(sulfanylamino)methylidene]amino]pentanoic acid
CID 138712746
(2R)-2-amino-5-[[amino(ethylamino)methylidene]amino]pentanoic acid
CID 10798159
(2S)-2-amino-5-[[amino-(2-methylhydrazinyl)methylidene]amino]pentanoic acid
CID 24801722
potassium 2-amino-5-(diaminomethylideneamino)pentanoic acid
CID 22005786
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
2-amino-5-(diaminomethylideneamino)pentanoic acid;cerium
CID 86698939
bis(2-amino-5-(diaminomethylideneamino)pentanoic acid);zinc
CID 154941617
sodium;2-amino-5-(diaminomethylideneamino)pentanoic acid;chloride
CID 87252256
2-amino-5-(diaminomethylideneamino)pentanoic acid;azane;phosphane
CID 175416337

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid?
The IUPAC name of 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid (CID 118548738) is 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid.
What is the SMILES notation for 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid?
The canonical SMILES for 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid is N/C(=N\CCCC(N)C(=O)O)NP=O.
What is the InChIKey of 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid?
The InChIKey is DWYSOBBIVWILKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N4O3P/c7-4(5(11)12)2-1-3-9-6(8)10-14-13/h4H,1-3,7H2,(H,11,12)(H3,8,9,10,13).
What are the key properties of 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid?
2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid has a molecular weight of 220.17 g/mol, XLogP of -0.71, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[amino-(phosphorosoamino)methylidene]amino]pentanoic acid is sourced from PubChem (CID 118548738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).