(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide

C7H14N2O3 — CID 118374581

IUPAC(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
SMILESC[C@H](C/C=N/O)[C@@H](O)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(2-3-9-12)6(10)4-7(8)11/h3,5-6,10,12H,2,4H2,1H3,(H2,8,11)/b9-3+/t5-,6+/m1/s1
InChIKeySUBPRHOBBRTYSV-JJUSWOCESA-N
MW174.20 g/mol
LogP-0.29
Rot. Bonds5

About (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide

(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide (PubChem CID 118374581) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
PubChem CID118374581
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide
SMILESC[C@H](C/C=N/O)[C@@H](O)CC(N)=O
InChIInChI=1S/C7H14N2O3/c1-5(2-3-9-12)6(10)4-7(8)11/h3,5-6,10,12H,2,4H2,1H3,(H2,8,11)/b9-3+/t5-,6+/m1/s1
InChIKeySUBPRHOBBRTYSV-JJUSWOCESA-N
XLogP-0.29
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.29
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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Frequently Asked Questions

What is the IUPAC name of (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide?
The IUPAC name of (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide (CID 118374581) is (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide.
What is the SMILES notation for (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide?
The canonical SMILES for (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide is C[C@H](C/C=N/O)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide?
The InChIKey is SUBPRHOBBRTYSV-JJUSWOCESA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(2-3-9-12)6(10)4-7(8)11/h3,5-6,10,12H,2,4H2,1H3,(H2,8,11)/b9-3+/t5-,6+/m1/s1.
What are the key properties of (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide?
(3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide has a molecular weight of 174.20 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,6E)-3-hydroxy-6-hydroxyimino-4-methylhexanamide is sourced from PubChem (CID 118374581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).