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

C6H15N2O6P — CID 54536172

IUPAC(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
SMILESNCCCC[C@@H](C(=O)O)N(O)P(=O)(O)O
InChIInChI=1S/C6H15N2O6P/c7-4-2-1-3-5(6(9)10)8(11)15(12,13)14/h5,11H,1-4,7H2,(H,9,10)(H2,12,13,14)/t5-/m0/s1
InChIKeyYZXQYDKRDFJEHB-YFKPBYRVSA-N
MW242.17 g/mol
LogP-0.65
Rot. Bonds7

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

(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid (PubChem CID 54536172) has the molecular formula C6H15N2O6P and a molecular weight of 242.17 g/mol. Its IUPAC name is (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
PubChem CID54536172
Molecular FormulaC6H15N2O6P
Molecular Weight242.17 g/mol
Exact Mass242.07
IUPAC Name(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid
SMILESNCCCC[C@@H](C(=O)O)N(O)P(=O)(O)O
InChIInChI=1S/C6H15N2O6P/c7-4-2-1-3-5(6(9)10)8(11)15(12,13)14/h5,11H,1-4,7H2,(H,9,10)(H2,12,13,14)/t5-/m0/s1
InChIKeyYZXQYDKRDFJEHB-YFKPBYRVSA-N
XLogP-0.65
TPSA144.32 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

(2S)-6-amino-2-[hydroxy(phosphonomethyl)amino]hexanoic acid
CID 25153752
6-amino-2-(diiodoamino)hexanoic acid
CID 175237266
(2S)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461790
(2R)-5-amino-2-[bis(phosphonomethyl)amino]pentanoic acid
CID 87461792
(2S)-6-amino-2-[di(propan-2-yl)amino]hexanoic acid
CID 150108342
6-amino-2-[bis(2-phosphonobut-3-enyl)amino]hexanoic acid
CID 87492563
(2S)-6-amino-2-[ethyl(methyl)amino]hexanoic acid
CID 149149504
(2S)-6-amino-2-(dinitroamino)hexanoic acid
CID 87748918
potassium;2,6-diaminohexanoic acid;hydride;phosphoric acid
CID 173459851
(2S)-6-amino-2-[methyl(propyl)amino]hexanoic acid
CID 150390621
6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
CID 135340868
(2S)-6-amino-2-(dipentylamino)hexanoic acid
CID 57295047

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid?
The IUPAC name of (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid (CID 54536172) is (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid is NCCCC[C@@H](C(=O)O)N(O)P(=O)(O)O.
What is the InChIKey of (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid?
The InChIKey is YZXQYDKRDFJEHB-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H15N2O6P/c7-4-2-1-3-5(6(9)10)8(11)15(12,13)14/h5,11H,1-4,7H2,(H,9,10)(H2,12,13,14)/t5-/m0/s1.
What are the key properties of (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid?
(2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid has a molecular weight of 242.17 g/mol, XLogP of -0.65, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-[hydroxy(phosphono)amino]hexanoic acid is sourced from PubChem (CID 54536172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).