(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride

C62H105Cl2N14O15P11 — CID 159601747

About (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride

(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride (PubChem CID 159601747) has the molecular formula C62H105Cl2N14O15P11 and a molecular weight of 1698.22 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride.

Molecular Properties

• Compound Name: (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride
• PubChem CID: 159601747
• Molecular Formula: C62H105Cl2N14O15P11
• Molecular Weight: 1698.22 g/mol
• Exact Mass: 1696.44
• IUPAC Name: (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride
• SMILES: C.COC(=O)[C@@H](C)Cc1cc(CCl)ccn1.COC(=O)[C@@H](C)Cc1cc(CN=[N+]=[N-])ccn1.COC(=O)[C@@H](C)Cc1cc(CO)ccn1.C[C@@H](Cc1cc(CO)ccn1)C(=O)O.Cl.N[C@@H](Cc1cc(CO)ccn1)C(=O)O.P.P.PP.PP(P)P.PPP.[N-]=[N+]=NCc1ccnc(C[C@H](N)C(=O)O)c1
• InChI: InChI=1S/C11H14ClNO2.C11H14N4O2.C11H15NO3.C10H13NO3.C9H11N5O2.C9H12N2O3.CH4.ClH.H6P4.H5P3.H4P2.2H3P/c1-8(11(14)15-2)5-10-6-9(7-12)3-4-13-10;1-8(11(16)17-2)5-10-6-9(3-4-13-10)7-14-15-12;1-8(11(14)15-2)5-10-6-9(7-13)3-4-12-10;1-7(10(13)14)4-9-5-8(6-12)2-3-11-9;10-8(9(15)16)4-7-3-6(1-2-12-7)5-13-14-11;10-8(9(13)14)4-7-3-6(5-12)1-2-11-7;;;1-4(2)3;1-3-2;1-2;;/h3-4,6,8H,5,7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;3-4,6,8,13H,5,7H2,1-2H3;2-3,5,7,12H,4,6H2,1H3,(H,13,14);1-3,8H,4-5,10H2,(H,15,16);1-3,8,12H,4-5,10H2,(H,13,14);1H4;1H;1-3H2;3H,1-2H2;1-2H2;2*1H3/t3*8-;7-;2*8-;;;;;;;/m000000......./s1
• InChIKey: FMFIIOHRRFTDBD-HFYSQWDKSA-N
• XLogP: 11.46
• TPSA: 478.39 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 26
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1698.22
LogP ≤ 5	11.46
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride?

The IUPAC name of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride (CID 159601747) is (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride.

What is the SMILES notation for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride?

The canonical SMILES for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride is C.COC(=O)[C@@H](C)Cc1cc(CCl)ccn1.COC(=O)[C@@H](C)Cc1cc(CN=[N+]=[N-])ccn1.COC(=O)[C@@H](C)Cc1cc(CO)ccn1.C[C@@H](Cc1cc(CO)ccn1)C(=O)O.Cl.N[C@@H](Cc1cc(CO)ccn1)C(=O)O.P.P.PP.PP(P)P.PPP.[N-]=[N+]=NCc1ccnc(C[C@H](N)C(=O)O)c1.

What is the InChIKey of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride?

The InChIKey is FMFIIOHRRFTDBD-HFYSQWDKSA-N. The full InChI is InChI=1S/C11H14ClNO2.C11H14N4O2.C11H15NO3.C10H13NO3.C9H11N5O2.C9H12N2O3.CH4.ClH.H6P4.H5P3.H4P2.2H3P/c1-8(11(14)15-2)5-10-6-9(7-12)3-4-13-10;1-8(11(16)17-2)5-10-6-9(3-4-13-10)7-14-15-12;1-8(11(14)15-2)5-10-6-9(7-13)3-4-12-10;1-7(10(13)14)4-9-5-8(6-12)2-3-11-9;10-8(9(15)16)4-7-3-6(1-2-12-7)5-13-14-11;10-8(9(13)14)4-7-3-6(5-12)1-2-11-7;;;1-4(2)3;1-3-2;1-2;;/h3-4,6,8H,5,7H2,1-2H3;3-4,6,8H,5,7H2,1-2H3;3-4,6,8,13H,5,7H2,1-2H3;2-3,5,7,12H,4,6H2,1H3,(H,13,14);1-3,8H,4-5,10H2,(H,15,16);1-3,8,12H,4-5,10H2,(H,13,14);1H4;1H;1-3H2;3H,1-2H2;1-2H2;2*1H3/t3*8-;7-;2*8-;;;;;;;/m000000......./s1.

What are the key properties of (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride?

(2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride has a molecular weight of 1698.22 g/mol, XLogP of 11.46, 26 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-2-amino-3-[4-(azidomethyl)-2-pyridinyl]propanoic acid;(2S)-2-amino-3-[4-(hydroxymethyl)-2-pyridinyl]propanoic acid;bis(phosphanyl)phosphane;(2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoic acid;methane;methyl (2S)-3-[4-(azidomethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(chloromethyl)-2-pyridinyl]-2-methylpropanoate;methyl (2S)-3-[4-(hydroxymethyl)-2-pyridinyl]-2-methylpropanoate;phosphane;phosphanylphosphane;tris(phosphanyl)phosphane;hydrochloride is sourced from PubChem (CID 159601747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).