6-amino-2-(hydroxymethylamino)hexanoic acid

C7H16N2O3 — CID 18519143

IUPAC6-amino-2-(hydroxymethylamino)hexanoic acid
SMILESNCCCCC(NCO)C(=O)O
InChIInChI=1S/C7H16N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h6,9-10H,1-5,8H2,(H,11,12)
InChIKeyHRTUATFMHZMKRU-UHFFFAOYSA-N
MW176.22 g/mol
LogP-0.89
Rot. Bonds7

About 6-amino-2-(hydroxymethylamino)hexanoic acid

6-amino-2-(hydroxymethylamino)hexanoic acid (PubChem CID 18519143) has the molecular formula C7H16N2O3 and a molecular weight of 176.22 g/mol. Its IUPAC name is 6-amino-2-(hydroxymethylamino)hexanoic acid.

Molecular Properties

Compound Name6-amino-2-(hydroxymethylamino)hexanoic acid
PubChem CID18519143
Molecular FormulaC7H16N2O3
Molecular Weight176.22 g/mol
Exact Mass176.12
IUPAC Name6-amino-2-(hydroxymethylamino)hexanoic acid
SMILESNCCCCC(NCO)C(=O)O
InChIInChI=1S/C7H16N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h6,9-10H,1-5,8H2,(H,11,12)
InChIKeyHRTUATFMHZMKRU-UHFFFAOYSA-N
XLogP-0.89
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 5-0.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
(2S)-6-amino-2-(3,3-dihydroxypropylamino)hexanoic acid
CID 87855201
(2R)-5-amino-2-(carboxymethylamino)pentanoic acid
CID 22810355
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-6-amino-2-(phosphonomethylamino)hexanoic acid
CID 25153976
(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
6-amino-2-(prop-2-enylamino)hexanoic acid
CID 87168024
5-amino-2-(6-aminohexylamino)pentanoic acid;trihydrochloride
CID 174056033
(2S)-6-amino-2-(4-carboxybutylamino)hexanoic acid
CID 164521049
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
(2R)-5-amino-2-(ethylamino)pentanoic acid
CID 143752846

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(hydroxymethylamino)hexanoic acid?
The IUPAC name of 6-amino-2-(hydroxymethylamino)hexanoic acid (CID 18519143) is 6-amino-2-(hydroxymethylamino)hexanoic acid.
What is the SMILES notation for 6-amino-2-(hydroxymethylamino)hexanoic acid?
The canonical SMILES for 6-amino-2-(hydroxymethylamino)hexanoic acid is NCCCCC(NCO)C(=O)O.
What is the InChIKey of 6-amino-2-(hydroxymethylamino)hexanoic acid?
The InChIKey is HRTUATFMHZMKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N2O3/c8-4-2-1-3-6(7(11)12)9-5-10/h6,9-10H,1-5,8H2,(H,11,12).
What are the key properties of 6-amino-2-(hydroxymethylamino)hexanoic acid?
6-amino-2-(hydroxymethylamino)hexanoic acid has a molecular weight of 176.22 g/mol, XLogP of -0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(hydroxymethylamino)hexanoic acid is sourced from PubChem (CID 18519143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).