(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide

C6H13N3O3 — CID 16773729

IUPAC(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C6H13N3O3/c1-12-3-2-8-6(10)4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyIAXQKTIVRKYTIV-UHFFFAOYSA-N
MW175.19 g/mol
LogP-1.11
Rot. Bonds5

About (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide

(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide (PubChem CID 16773729) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide
PubChem CID16773729
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Name(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C/C(N)=N/O
InChIInChI=1S/C6H13N3O3/c1-12-3-2-8-6(10)4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10)
InChIKeyIAXQKTIVRKYTIV-UHFFFAOYSA-N
XLogP-1.11
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-1.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The IUPAC name of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide (CID 16773729) is (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The canonical SMILES for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide is COCCNC(=O)C/C(N)=N/O.
What is the InChIKey of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
The InChIKey is IAXQKTIVRKYTIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-12-3-2-8-6(10)4-5(7)9-11/h11H,2-4H2,1H3,(H2,7,9)(H,8,10).
What are the key properties of (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide?
(3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide has a molecular weight of 175.19 g/mol, XLogP of -1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-amino-3-hydroxyimino-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 16773729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).