(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid

C9H20N2O5 — CID 118384370

IUPAC(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
SMILESCCC(=O)O.NCCCC[C@H](NO)C(=O)O
InChIInChI=1S/C6H14N2O3.C3H6O2/c7-4-2-1-3-5(8-11)6(9)10;1-2-3(4)5/h5,8,11H,1-4,7H2,(H,9,10);2H2,1H3,(H,4,5)/t5-;/m0./s1
InChIKeyBZMLBXLPCWEYTA-JEDNCBNOSA-N
MW236.27 g/mol
LogP0.03
Rot. Bonds7

About (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid

(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid (PubChem CID 118384370) has the molecular formula C9H20N2O5 and a molecular weight of 236.27 g/mol. Its IUPAC name is (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid.

Molecular Properties

Compound Name(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
PubChem CID118384370
Molecular FormulaC9H20N2O5
Molecular Weight236.27 g/mol
Exact Mass236.14
IUPAC Name(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid
SMILESCCC(=O)O.NCCCC[C@H](NO)C(=O)O
InChIInChI=1S/C6H14N2O3.C3H6O2/c7-4-2-1-3-5(8-11)6(9)10;1-2-3(4)5/h5,8,11H,1-4,7H2,(H,9,10);2H2,1H3,(H,4,5)/t5-;/m0./s1
InChIKeyBZMLBXLPCWEYTA-JEDNCBNOSA-N
XLogP0.03
TPSA132.88 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.03
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'}

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Related Compounds

(2R)-6-amino-2-(hydroxyamino)hexanoic acid
CID 87193141
6-amino-2-(hydroxyamino)hexanoic acid;3-methyl-2-(methylamino)butanoic acid
CID 174469022
acetic acid;(2S)-6-amino-2-(ethylamino)hexanoic acid
CID 162326558
(2S)-6-amino-2-(deuteriooxyamino)hexanoic acid
CID 141398106
(2S)-6-amino-2-(3-oxobutanoylamino)hexanoic acid
CID 166492381
2-acetamido-6-aminohexanoic acid;2-aminoacetic acid
CID 174935142
6-amino-2-(ethylamino)hexanoic acid;dihydrochloride
CID 175594704
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
6-amino-2-(carboxymethylamino)hexanoic acid
CID 11680034
6-amino-2-(2-oxopropanoylamino)hexanoic acid
CID 87246065
(2S)-6-amino-2-(2-ethylhexylamino)hexanoic acid;propanoic acid
CID 162157339
(2R)-6-amino-2-methylhexanoic acid
CID 92976969

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid?
The IUPAC name of (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid (CID 118384370) is (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid.
What is the SMILES notation for (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid?
The canonical SMILES for (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid is CCC(=O)O.NCCCC[C@H](NO)C(=O)O.
What is the InChIKey of (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid?
The InChIKey is BZMLBXLPCWEYTA-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H14N2O3.C3H6O2/c7-4-2-1-3-5(8-11)6(9)10;1-2-3(4)5/h5,8,11H,1-4,7H2,(H,9,10);2H2,1H3,(H,4,5)/t5-;/m0./s1.
What are the key properties of (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid?
(2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid has a molecular weight of 236.27 g/mol, XLogP of 0.03, 7 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-2-(hydroxyamino)hexanoic acid;propanoic acid is sourced from PubChem (CID 118384370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).