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

C6H14N2O3 — CID 141398106

IUPAC(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
SMILES[2H]ON[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c7-4-2-1-3-5(8-11)6(9)10/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1/i11D
InChIKeyQJHBJHUKURJDLG-MUBCTBEBSA-N
MW163.20 g/mol
LogP-0.45
Rot. Bonds7

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

(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid (PubChem CID 141398106) has the molecular formula C6H14N2O3 and a molecular weight of 163.20 g/mol. Its IUPAC name is (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
PubChem CID141398106
Molecular FormulaC6H14N2O3
Molecular Weight163.20 g/mol
Exact Mass163.11
IUPAC Name(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
SMILES[2H]ON[C@@H](CCCCN)C(=O)O
InChIInChI=1S/C6H14N2O3/c7-4-2-1-3-5(8-11)6(9)10/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1/i11D
InChIKeyQJHBJHUKURJDLG-MUBCTBEBSA-N
XLogP-0.45
TPSA95.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
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'}

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Related Compounds

(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
CID 118384370
(2S)-6-amino-2-[(2-aminoacetyl)amino]hexanoic acid
CID 3080576
(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
6-amino-2-(1-aminoethylamino)hexanoic acid
CID 87754048
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
6-amino-2-(hydroxymethylamino)hexanoic acid
CID 18519143
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
6-amino-2-(6-aminohexanoylamino)hexanoic acid
CID 19028400
(2S)-6-amino-2-(8-aminooctanoylamino)hexanoic acid
CID 118249963

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid?
The IUPAC name of (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid (CID 141398106) is (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid?
The canonical SMILES for (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid is [2H]ON[C@@H](CCCCN)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid?
The InChIKey is QJHBJHUKURJDLG-MUBCTBEBSA-N. The full InChI is InChI=1S/C6H14N2O3/c7-4-2-1-3-5(8-11)6(9)10/h5,8,11H,1-4,7H2,(H,9,10)/t5-/m0/s1/i11D.
What are the key properties of (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid?
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid has a molecular weight of 163.20 g/mol, XLogP of -0.45, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(deuteriooxyamino)hexanoic acid is sourced from PubChem (CID 141398106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).