4-amino-N,N-dihydroxybutan-2-amine oxide

C4H12N2O3 — CID 87346190

IUPAC4-amino-N,N-dihydroxybutan-2-amine oxide
SMILESCC(CCN)[N+]([O-])(O)O
InChIInChI=1S/C4H12N2O3/c1-4(2-3-5)6(7,8)9/h4,7-8H,2-3,5H2,1H3
InChIKeyLZMQDNDVABTCAF-UHFFFAOYSA-N
MW136.15 g/mol
LogP-0.18
Rot. Bonds3

About 4-amino-N,N-dihydroxybutan-2-amine oxide

4-amino-N,N-dihydroxybutan-2-amine oxide (PubChem CID 87346190) has the molecular formula C4H12N2O3 and a molecular weight of 136.15 g/mol. Its IUPAC name is 4-amino-N,N-dihydroxybutan-2-amine oxide.

Molecular Properties

Compound Name4-amino-N,N-dihydroxybutan-2-amine oxide
PubChem CID87346190
Molecular FormulaC4H12N2O3
Molecular Weight136.15 g/mol
Exact Mass136.08
IUPAC Name4-amino-N,N-dihydroxybutan-2-amine oxide
SMILESCC(CCN)[N+]([O-])(O)O
InChIInChI=1S/C4H12N2O3/c1-4(2-3-5)6(7,8)9/h4,7-8H,2-3,5H2,1H3
InChIKeyLZMQDNDVABTCAF-UHFFFAOYSA-N
XLogP-0.18
TPSA89.54 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

4-aminobutan-2-ylboronic acid
CID 14026844
(2R,3S)-5-amino-2,3-dimethylpentan-1-ol
CID 174320236
(2S)-2-methylbutane-1,4-diamine
CID 51382069
4-amino-2-methylbutanoic acid
CID 3759025
(2S)-5-amino-2-methylpentan-1-ol
CID 94975378
dihydroxy(oxo)phosphanium;3-methylbutan-1-amine
CID 22056543
(2S)-4-amino-2-methylbutanamide
CID 87412339
4-aminobutane-2-thiol;hydrochloride
CID 86083804
pentane-1,3,4-triamine
CID 18366520
(3R,4R)-6-amino-4-methylhexan-3-ol
CID 96637634
3-N,3-N-dihydroxy-4-methylpentane-1,3-diamine
CID 139889741
4-chloro-3-methylpentan-1-amine
CID 90302099

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,N-dihydroxybutan-2-amine oxide?
The IUPAC name of 4-amino-N,N-dihydroxybutan-2-amine oxide (CID 87346190) is 4-amino-N,N-dihydroxybutan-2-amine oxide.
What is the SMILES notation for 4-amino-N,N-dihydroxybutan-2-amine oxide?
The canonical SMILES for 4-amino-N,N-dihydroxybutan-2-amine oxide is CC(CCN)[N+]([O-])(O)O.
What is the InChIKey of 4-amino-N,N-dihydroxybutan-2-amine oxide?
The InChIKey is LZMQDNDVABTCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N2O3/c1-4(2-3-5)6(7,8)9/h4,7-8H,2-3,5H2,1H3.
What are the key properties of 4-amino-N,N-dihydroxybutan-2-amine oxide?
4-amino-N,N-dihydroxybutan-2-amine oxide has a molecular weight of 136.15 g/mol, XLogP of -0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,N-dihydroxybutan-2-amine oxide is sourced from PubChem (CID 87346190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).