(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid

C7H17N2O5P — CID 25153976

IUPAC(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
SMILESNCCCC[C@H](NCP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H17N2O5P/c8-4-2-1-3-6(7(10)11)9-5-15(12,13)14/h6,9H,1-5,8H2,(H,10,11)(H2,12,13,14)/t6-/m0/s1
InChIKeyVARALOVKQGZNMI-LURJTMIESA-N
MW240.20 g/mol
LogP-0.71
Rot. Bonds8

About (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid

(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid (PubChem CID 25153976) has the molecular formula C7H17N2O5P and a molecular weight of 240.20 g/mol. Its IUPAC name is (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
PubChem CID25153976
Molecular FormulaC7H17N2O5P
Molecular Weight240.20 g/mol
Exact Mass240.09
IUPAC Name(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
SMILESNCCCC[C@H](NCP(=O)(O)O)C(=O)O
InChIInChI=1S/C7H17N2O5P/c8-4-2-1-3-6(7(10)11)9-5-15(12,13)14/h6,9H,1-5,8H2,(H,10,11)(H2,12,13,14)/t6-/m0/s1
InChIKeyVARALOVKQGZNMI-LURJTMIESA-N
XLogP-0.71
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-6-(carbamoylamino)-2-(phosphonomethylamino)hexanoic acid
CID 25153969
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
6-amino-2-(2-phosphonobut-3-enylamino)hexanoic acid
CID 87479009
7-amino-7-imino-2-(phosphonomethylamino)heptanoic acid
CID 23728533
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-6-amino-2-(dihydroxyphosphinothioylamino)hexanoic acid
CID 102122360
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
6-amino-2-(1-phosphonoprop-2-enylamino)hexanoic acid
CID 87476730
6-amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid (CID 25153976) is (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid is NCCCC[C@H](NCP(=O)(O)O)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid?
The InChIKey is VARALOVKQGZNMI-LURJTMIESA-N. The full InChI is InChI=1S/C7H17N2O5P/c8-4-2-1-3-6(7(10)11)9-5-15(12,13)14/h6,9H,1-5,8H2,(H,10,11)(H2,12,13,14)/t6-/m0/s1.
What are the key properties of (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid?
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid has a molecular weight of 240.20 g/mol, XLogP of -0.71, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(phosphonomethylamino)hexanoic acid is sourced from PubChem (CID 25153976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).