N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide

C6H13N3O2 — CID 14024502

IUPACN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide
SMILESCCC(NC(C)=O)/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-3-5(6(7)9-11)8-4(2)10/h5,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyVNPQIPOJDKLQFU-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.35
Rot. Bonds3

About N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide

N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide (PubChem CID 14024502) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide
PubChem CID14024502
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide
SMILESCCC(NC(C)=O)/C(N)=N/O
InChIInChI=1S/C6H13N3O2/c1-3-5(6(7)9-11)8-4(2)10/h5,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyVNPQIPOJDKLQFU-UHFFFAOYSA-N
XLogP-0.35
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide (CID 14024502) is N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide is CCC(NC(C)=O)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide?
The InChIKey is VNPQIPOJDKLQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-3-5(6(7)9-11)8-4(2)10/h5,11H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide?
N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide has a molecular weight of 159.19 g/mol, XLogP of -0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminobutan-2-yl]acetamide is sourced from PubChem (CID 14024502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).