acetic acid;N-(1-aminobutan-2-yl)hydroxylamine

C12H28N2O9 — CID 173128734

IUPACacetic acid;N-(1-aminobutan-2-yl)hydroxylamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CN)NO
InChIInChI=1S/C4H12N2O.4C2H4O2/c1-2-4(3-5)6-7;4*1-2(3)4/h4,6-7H,2-3,5H2,1H3;4*1H3,(H,3,4)
InChIKeyQZXXOLROFVUCBZ-UHFFFAOYSA-N
MW344.36 g/mol
LogP0.07
Rot. Bonds3

About acetic acid;N-(1-aminobutan-2-yl)hydroxylamine

acetic acid;N-(1-aminobutan-2-yl)hydroxylamine (PubChem CID 173128734) has the molecular formula C12H28N2O9 and a molecular weight of 344.36 g/mol. Its IUPAC name is acetic acid;N-(1-aminobutan-2-yl)hydroxylamine.

Molecular Properties

Compound Nameacetic acid;N-(1-aminobutan-2-yl)hydroxylamine
PubChem CID173128734
Molecular FormulaC12H28N2O9
Molecular Weight344.36 g/mol
Exact Mass344.18
IUPAC Nameacetic acid;N-(1-aminobutan-2-yl)hydroxylamine
SMILESCC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CN)NO
InChIInChI=1S/C4H12N2O.4C2H4O2/c1-2-4(3-5)6-7;4*1-2(3)4/h4,6-7H,2-3,5H2,1H3;4*1H3,(H,3,4)
InChIKeyQZXXOLROFVUCBZ-UHFFFAOYSA-N
XLogP0.07
TPSA207.48 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.36
LogP ≤ 50.07
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

trisodium;N-(1-aminobutan-2-yl)hydroxylamine;triacetate
CID 173409157
CID 160895097
CID 160895097
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CID 160667844
[(Z)-1-(1-aminobutan-2-ylamino)prop-1-en-2-yl]azanium
CID 145229886
acetic acid;copper;ethane-1,2-diamine
CID 88782929
acetic acid;ethane-1,2-diamine;ytterbium
CID 158635793
acetic acid;ethane-1,2-diamine;λ2-plumbane
CID 173443491
acetic acid;chromium;ethane-1,2-diamine
CID 157437445
acetic acid;methanediamine
CID 162329452
(2R)-2-N-methylbutane-1,2-diamine
CID 94343241
acetic acid;bis(ethane-1,2-diamine);propanoic acid
CID 173315141
acetic acid;copper;2-methylpropan-1-amine
CID 88782115

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-(1-aminobutan-2-yl)hydroxylamine?
The IUPAC name of acetic acid;N-(1-aminobutan-2-yl)hydroxylamine (CID 173128734) is acetic acid;N-(1-aminobutan-2-yl)hydroxylamine.
What is the SMILES notation for acetic acid;N-(1-aminobutan-2-yl)hydroxylamine?
The canonical SMILES for acetic acid;N-(1-aminobutan-2-yl)hydroxylamine is CC(=O)O.CC(=O)O.CC(=O)O.CC(=O)O.CCC(CN)NO.
What is the InChIKey of acetic acid;N-(1-aminobutan-2-yl)hydroxylamine?
The InChIKey is QZXXOLROFVUCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O.4C2H4O2/c1-2-4(3-5)6-7;4*1-2(3)4/h4,6-7H,2-3,5H2,1H3;4*1H3,(H,3,4).
What are the key properties of acetic acid;N-(1-aminobutan-2-yl)hydroxylamine?
acetic acid;N-(1-aminobutan-2-yl)hydroxylamine has a molecular weight of 344.36 g/mol, XLogP of 0.07, 3 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;N-(1-aminobutan-2-yl)hydroxylamine is sourced from PubChem (CID 173128734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).