[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid

C57H105N26O28P9S — CID 157321620

IUPAC[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid
SMILESC[C@@H](N)Cc1ccc(P(=O)(O)O)cn1.C[C@@H](N)Cc1cnc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)[nH]1.C[C@@H](N)Cc1ncc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)nn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)o1.C[C@@H](N)Cc1ncc(P(=O)(O)O)s1.C[C@@H](N)Cn1cc(P(=O)(O)O)cn1.C[C@@H](N)Cn1ncc(P(=O)(O)O)n1
InChIInChI=1S/C8H13N2O3P.2C7H12N3O3P.C6H11N4O3P.2C6H12N3O3P.C6H11N2O4P.C6H11N2O3PS.C5H11N4O3P/c1-6(9)4-7-2-3-8(5-10-7)14(11,12)13;1-5(8)2-7-9-3-6(4-10-7)14(11,12)13;1-5(8)2-6-3-10-7(4-9-6)14(11,12)13;1-4(7)2-5-8-3-6(10-9-5)14(11,12)13;1-5(7)3-9-4-6(2-8-9)13(10,11)12;1-4(7)2-5-8-3-6(9-5)13(10,11)12;1-4(7)2-5-8-3-6(12-5)13(9,10)11;1-4(7)2-5-8-3-6(13-5)12(9,10)11;1-4(6)3-9-7-2-5(8-9)13(10,11)12/h2-3,5-6H,4,9H2,1H3,(H2,11,12,13);2*3-5H,2,8H2,1H3,(H2,11,12,13);3-4H,2,7H2,1H3,(H2,11,12,13);2,4-5H,3,7H2,1H3,(H2,10,11,12);3-4H,2,7H2,1H3,(H,8,9)(H2,10,11,12);2*3-4H,2,7H2,1H3,(H2,9,10,11);2,4H,3,6H2,1H3,(H2,10,11,12)/t6-;2*5-;4-;5-;4*4-/m111111111/s1
InChIKeyBEFRBZJMEKJVNU-BSHMBTRHSA-N
MW1913.45 g/mol
LogP-7.56
Rot. Bonds27

About [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid

[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid (PubChem CID 157321620) has the molecular formula C57H105N26O28P9S and a molecular weight of 1913.45 g/mol. Its IUPAC name is [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid.

Molecular Properties

Compound Name[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid
PubChem CID157321620
Molecular FormulaC57H105N26O28P9S
Molecular Weight1913.45 g/mol
Exact Mass1912.50
IUPAC Name[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid
SMILESC[C@@H](N)Cc1ccc(P(=O)(O)O)cn1.C[C@@H](N)Cc1cnc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)[nH]1.C[C@@H](N)Cc1ncc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)nn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)o1.C[C@@H](N)Cc1ncc(P(=O)(O)O)s1.C[C@@H](N)Cn1cc(P(=O)(O)O)cn1.C[C@@H](N)Cn1ncc(P(=O)(O)O)n1
InChIInChI=1S/C8H13N2O3P.2C7H12N3O3P.C6H11N4O3P.2C6H12N3O3P.C6H11N2O4P.C6H11N2O3PS.C5H11N4O3P/c1-6(9)4-7-2-3-8(5-10-7)14(11,12)13;1-5(8)2-7-9-3-6(4-10-7)14(11,12)13;1-5(8)2-6-3-10-7(4-9-6)14(11,12)13;1-4(7)2-5-8-3-6(10-9-5)14(11,12)13;1-5(7)3-9-4-6(2-8-9)13(10,11)12;1-4(7)2-5-8-3-6(9-5)13(10,11)12;1-4(7)2-5-8-3-6(12-5)13(9,10)11;1-4(7)2-5-8-3-6(13-5)12(9,10)11;1-4(6)3-9-7-2-5(8-9)13(10,11)12/h2-3,5-6H,4,9H2,1H3,(H2,11,12,13);2*3-5H,2,8H2,1H3,(H2,11,12,13);3-4H,2,7H2,1H3,(H2,11,12,13);2,4-5H,3,7H2,1H3,(H2,10,11,12);3-4H,2,7H2,1H3,(H,8,9)(H2,10,11,12);2*3-4H,2,7H2,1H3,(H2,9,10,11);2,4H,3,6H2,1H3,(H2,10,11,12)/t6-;2*5-;4-;5-;4*4-/m111111111/s1
InChIKeyBEFRBZJMEKJVNU-BSHMBTRHSA-N
XLogP-7.56
TPSA971.20 Ų
H-Bond Donors28
H-Bond Acceptors36
Rotatable Bonds27
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.45
LogP ≤ 5-7.56
H-Bond Donors ≤ 528
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid?
The IUPAC name of [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid (CID 157321620) is [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid.
What is the SMILES notation for [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid?
The canonical SMILES for [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid is C[C@@H](N)Cc1ccc(P(=O)(O)O)cn1.C[C@@H](N)Cc1cnc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)[nH]1.C[C@@H](N)Cc1ncc(P(=O)(O)O)cn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)nn1.C[C@@H](N)Cc1ncc(P(=O)(O)O)o1.C[C@@H](N)Cc1ncc(P(=O)(O)O)s1.C[C@@H](N)Cn1cc(P(=O)(O)O)cn1.C[C@@H](N)Cn1ncc(P(=O)(O)O)n1.
What is the InChIKey of [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid?
The InChIKey is BEFRBZJMEKJVNU-BSHMBTRHSA-N. The full InChI is InChI=1S/C8H13N2O3P.2C7H12N3O3P.C6H11N4O3P.2C6H12N3O3P.C6H11N2O4P.C6H11N2O3PS.C5H11N4O3P/c1-6(9)4-7-2-3-8(5-10-7)14(11,12)13;1-5(8)2-7-9-3-6(4-10-7)14(11,12)13;1-5(8)2-6-3-10-7(4-9-6)14(11,12)13;1-4(7)2-5-8-3-6(10-9-5)14(11,12)13;1-5(7)3-9-4-6(2-8-9)13(10,11)12;1-4(7)2-5-8-3-6(9-5)13(10,11)12;1-4(7)2-5-8-3-6(12-5)13(9,10)11;1-4(7)2-5-8-3-6(13-5)12(9,10)11;1-4(6)3-9-7-2-5(8-9)13(10,11)12/h2-3,5-6H,4,9H2,1H3,(H2,11,12,13);2*3-5H,2,8H2,1H3,(H2,11,12,13);3-4H,2,7H2,1H3,(H2,11,12,13);2,4-5H,3,7H2,1H3,(H2,10,11,12);3-4H,2,7H2,1H3,(H,8,9)(H2,10,11,12);2*3-4H,2,7H2,1H3,(H2,9,10,11);2,4H,3,6H2,1H3,(H2,10,11,12)/t6-;2*5-;4-;5-;4*4-/m111111111/s1.
What are the key properties of [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid?
[2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid has a molecular weight of 1913.45 g/mol, XLogP of -7.56, 27 rotatable bonds, 28 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R)-2-aminopropyl]-1H-imidazol-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-oxazol-5-yl]phosphonic acid;[5-[(2R)-2-aminopropyl]pyrazin-2-yl]phosphonic acid;[1-[(2R)-2-aminopropyl]pyrazol-4-yl]phosphonic acid;[6-[(2R)-2-aminopropyl]-3-pyridinyl]phosphonic acid;[2-[(2R)-2-aminopropyl]pyrimidin-5-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]-1,3-thiazol-5-yl]phosphonic acid;[3-[(2R)-2-aminopropyl]-1,2,4-triazin-6-yl]phosphonic acid;[2-[(2R)-2-aminopropyl]triazol-4-yl]phosphonic acid is sourced from PubChem (CID 157321620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).