(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid

C7H17N2O6P — CID 25153752

IUPAC(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
SMILESNCCCC[C@@H](C(=O)O)N(O)CP(=O)(O)O
InChIInChI=1S/C7H17N2O6P/c8-4-2-1-3-6(7(10)11)9(12)5-16(13,14)15/h6,12H,1-5,8H2,(H,10,11)(H2,13,14,15)/t6-/m0/s1
InChIKeyRMOSJJJYITULTD-LURJTMIESA-N
MW256.19 g/mol
LogP-0.61
Rot. Bonds8

About (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid

(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid (PubChem CID 25153752) has the molecular formula C7H17N2O6P and a molecular weight of 256.19 g/mol. Its IUPAC name is (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
PubChem CID25153752
Molecular FormulaC7H17N2O6P
Molecular Weight256.19 g/mol
Exact Mass256.08
IUPAC Name(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
SMILESNCCCC[C@@H](C(=O)O)N(O)CP(=O)(O)O
InChIInChI=1S/C7H17N2O6P/c8-4-2-1-3-6(7(10)11)9(12)5-16(13,14)15/h6,12H,1-5,8H2,(H,10,11)(H2,13,14,15)/t6-/m0/s1
InChIKeyRMOSJJJYITULTD-LURJTMIESA-N
XLogP-0.61
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 5-0.61
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2R)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461792
(2S)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461790
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
CID 54536172
2-[hydroxy(phosphonomethyl)amino]pentanedioic acid
CID 87463060
6-amino-2-[bis(2-phosphonobut-3-enyl)amino]hexanoic acid
CID 87492563
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
(2S)-2,6-diaminohexanoic acid;phosphonomethylphosphonic acid
CID 173046070
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918
(2S)-6-amino-2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]hexanoic acid
CID 90249102

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid (CID 25153752) is (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid is NCCCC[C@@H](C(=O)O)N(O)CP(=O)(O)O.
What is the InChIKey of (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid?
The InChIKey is RMOSJJJYITULTD-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N2O6P/c8-4-2-1-3-6(7(10)11)9(12)5-16(13,14)15/h6,12H,1-5,8H2,(H,10,11)(H2,13,14,15)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid?
(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid has a molecular weight of 256.19 g/mol, XLogP of -0.61, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid is sourced from PubChem (CID 25153752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).