(E)-2-amino-6-hydroxy-3-oxohex-4-enamide

C6H10N2O3 — CID 174795380

IUPAC(E)-2-amino-6-hydroxy-3-oxohex-4-enamide
SMILESNC(=O)C(N)C(=O)/C=C/CO
InChIInChI=1S/C6H10N2O3/c7-5(6(8)11)4(10)2-1-3-9/h1-2,5,9H,3,7H2,(H2,8,11)/b2-1+
InChIKeyLDZHTUOQHQCECI-OWOJBTEDSA-N
MW158.16 g/mol
LogP-2.08
Rot. Bonds4

About (E)-2-amino-6-hydroxy-3-oxohex-4-enamide

(E)-2-amino-6-hydroxy-3-oxohex-4-enamide (PubChem CID 174795380) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (E)-2-amino-6-hydroxy-3-oxohex-4-enamide.

Molecular Properties

Compound Name(E)-2-amino-6-hydroxy-3-oxohex-4-enamide
PubChem CID174795380
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(E)-2-amino-6-hydroxy-3-oxohex-4-enamide
SMILESNC(=O)C(N)C(=O)/C=C/CO
InChIInChI=1S/C6H10N2O3/c7-5(6(8)11)4(10)2-1-3-9/h1-2,5,9H,3,7H2,(H2,8,11)/b2-1+
InChIKeyLDZHTUOQHQCECI-OWOJBTEDSA-N
XLogP-2.08
TPSA106.41 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-2-amino-6-hydroxy-3-oxohex-4-enamide?
The IUPAC name of (E)-2-amino-6-hydroxy-3-oxohex-4-enamide (CID 174795380) is (E)-2-amino-6-hydroxy-3-oxohex-4-enamide.
What is the SMILES notation for (E)-2-amino-6-hydroxy-3-oxohex-4-enamide?
The canonical SMILES for (E)-2-amino-6-hydroxy-3-oxohex-4-enamide is NC(=O)C(N)C(=O)/C=C/CO.
What is the InChIKey of (E)-2-amino-6-hydroxy-3-oxohex-4-enamide?
The InChIKey is LDZHTUOQHQCECI-OWOJBTEDSA-N. The full InChI is InChI=1S/C6H10N2O3/c7-5(6(8)11)4(10)2-1-3-9/h1-2,5,9H,3,7H2,(H2,8,11)/b2-1+.
What are the key properties of (E)-2-amino-6-hydroxy-3-oxohex-4-enamide?
(E)-2-amino-6-hydroxy-3-oxohex-4-enamide has a molecular weight of 158.16 g/mol, XLogP of -2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-amino-6-hydroxy-3-oxohex-4-enamide is sourced from PubChem (CID 174795380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).