(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide

C8H14N2O3 — CID 139455859

IUPAC(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide
SMILESCN(CCC(N)=O)C(=O)/C=C\CO
InChIInChI=1S/C8H14N2O3/c1-10(5-4-7(9)12)8(13)3-2-6-11/h2-3,11H,4-6H2,1H3,(H2,9,12)/b3-2-
InChIKeyBRRIJZQSXJKKLH-IHWYPQMZSA-N
MW186.21 g/mol
LogP-1.13
Rot. Bonds5

About (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide

(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide (PubChem CID 139455859) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide.

Molecular Properties

Compound Name(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide
PubChem CID139455859
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide
SMILESCN(CCC(N)=O)C(=O)/C=C\CO
InChIInChI=1S/C8H14N2O3/c1-10(5-4-7(9)12)8(13)3-2-6-11/h2-3,11H,4-6H2,1H3,(H2,9,12)/b3-2-
InChIKeyBRRIJZQSXJKKLH-IHWYPQMZSA-N
XLogP-1.13
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide?
The IUPAC name of (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide (CID 139455859) is (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide.
What is the SMILES notation for (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide?
The canonical SMILES for (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide is CN(CCC(N)=O)C(=O)/C=C\CO.
What is the InChIKey of (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide?
The InChIKey is BRRIJZQSXJKKLH-IHWYPQMZSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-10(5-4-7(9)12)8(13)3-2-6-11/h2-3,11H,4-6H2,1H3,(H2,9,12)/b3-2-.
What are the key properties of (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide?
(Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide has a molecular weight of 186.21 g/mol, XLogP of -1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-amino-3-oxopropyl)-4-hydroxy-N-methylbut-2-enamide is sourced from PubChem (CID 139455859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).