(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol

C5H12N2O2 — CID 55290819

IUPAC(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol
SMILESCC(C)(N)/C(CO)=N\O
InChIInChI=1S/C5H12N2O2/c1-5(2,6)4(3-8)7-9/h8-9H,3,6H2,1-2H3/b7-4-
InChIKeyYEAQOYYUPOVJLH-DAXSKMNVSA-N
MW132.16 g/mol
LogP-0.45
Rot. Bonds2

About (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol

(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol (PubChem CID 55290819) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol.

Molecular Properties

Compound Name(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol
PubChem CID55290819
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Name(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol
SMILESCC(C)(N)/C(CO)=N\O
InChIInChI=1S/C5H12N2O2/c1-5(2,6)4(3-8)7-9/h8-9H,3,6H2,1-2H3/b7-4-
InChIKeyYEAQOYYUPOVJLH-DAXSKMNVSA-N
XLogP-0.45
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-amino-3-methyl-1-(4-methylphenoxy)butan-2-ylidene]hydroxylamine
CID 88796330
(NZ)-N-(1-bromo-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 12555835
N-(2,2,5,5-tetramethylhexan-3-ylidene)hydroxylamine
CID 59921179
(NE)-N-(1-chloro-3,3-dimethylbutan-2-ylidene)hydroxylamine
CID 55301431
3-amino-3-methylbutan-1-ol
CID 641000
2-amino-2-methanidylpropan-1-ol;gold(1+)
CID 88844237
(NE)-N-[3,3-dimethyl-1-(trifluoromethylsulfanyl)butan-2-ylidene]hydroxylamine
CID 88844022
tetrakis(N-(4-amino-4-methylpentan-2-ylidene)hydroxylamine);bis(copper(1+))
CID 6849603
methanamine;tris(methanediol)
CID 173091621
3-amino-3-cyclopropylbutan-1-ol
CID 65240189
2-amino-1,1-dideuterio-2-methylpropan-1-ol
CID 140648531
2-amino-2-methylpropane-1,3-diol;azane
CID 172847501

Frequently Asked Questions

What is the IUPAC name of (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol?
The IUPAC name of (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol (CID 55290819) is (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol.
What is the SMILES notation for (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol?
The canonical SMILES for (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol is CC(C)(N)/C(CO)=N\O.
What is the InChIKey of (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol?
The InChIKey is YEAQOYYUPOVJLH-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H12N2O2/c1-5(2,6)4(3-8)7-9/h8-9H,3,6H2,1-2H3/b7-4-.
What are the key properties of (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol?
(2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol has a molecular weight of 132.16 g/mol, XLogP of -0.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-amino-2-hydroxyimino-3-methylbutan-1-ol is sourced from PubChem (CID 55290819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).