N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide

C6H13N3O3 — CID 61277976

IUPACN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)/C(N)=N/O
InChIInChI=1S/C6H13N3O3/c1-4(6(7)9-11)8-5(10)3-12-2/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyMKVVLMNIHKMVAO-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.12
Rot. Bonds4

About N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide

N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide (PubChem CID 61277976) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide
PubChem CID61277976
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC NameN-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide
SMILESCOCC(=O)NC(C)/C(N)=N/O
InChIInChI=1S/C6H13N3O3/c1-4(6(7)9-11)8-5(10)3-12-2/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10)
InChIKeyMKVVLMNIHKMVAO-UHFFFAOYSA-N
XLogP-1.12
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxyiminopropan-2-yl]-2-methoxyacetamide?
The IUPAC name of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide (CID 61277976) is N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide?
The canonical SMILES for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide is COCC(=O)NC(C)/C(N)=N/O.
What is the InChIKey of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide?
The InChIKey is MKVVLMNIHKMVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-4(6(7)9-11)8-5(10)3-12-2/h4,11H,3H2,1-2H3,(H2,7,9)(H,8,10).
What are the key properties of N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide?
N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide has a molecular weight of 175.19 g/mol, XLogP of -1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-amino-1-hydroxyiminopropan-2-yl]-2-methoxyacetamide is sourced from PubChem (CID 61277976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).