(E)-4-hydroxy-4-(methylamino)but-2-enamide

C5H10N2O2 — CID 176557926

IUPAC(E)-4-hydroxy-4-(methylamino)but-2-enamide
SMILESCNC(O)/C=C/C(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-5(9)3-2-4(6)8/h2-3,5,7,9H,1H3,(H2,6,8)/b3-2+
InChIKeySPMIHGVTOOCSQS-NSCUHMNNSA-N
MW130.15 g/mol
LogP-1.43
Rot. Bonds3

About (E)-4-hydroxy-4-(methylamino)but-2-enamide

(E)-4-hydroxy-4-(methylamino)but-2-enamide (PubChem CID 176557926) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (E)-4-hydroxy-4-(methylamino)but-2-enamide.

Molecular Properties

Compound Name(E)-4-hydroxy-4-(methylamino)but-2-enamide
PubChem CID176557926
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(E)-4-hydroxy-4-(methylamino)but-2-enamide
SMILESCNC(O)/C=C/C(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-5(9)3-2-4(6)8/h2-3,5,7,9H,1H3,(H2,6,8)/b3-2+
InChIKeySPMIHGVTOOCSQS-NSCUHMNNSA-N
XLogP-1.43
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-acetylhepta-2,5-dienediamide
CID 57261872
4-methylhepta-2,5-dienediamide
CID 54037507
4-aminopent-2-enamide
CID 90746791
(E)-4-iodopent-2-enamide
CID 88928240
(E)-4-bromobut-2-enamide;ethane
CID 145199796
(E)-but-2-enamide;ethane
CID 145356551
(Z)-but-2-enamide;(E)-but-2-enamide;methane
CID 163931576
5-(methylamino)pent-2-enamide
CID 90151348
bis(4-amino-4-oxobut-2-enoic acid);propane-1,2-diol
CID 173054168
N-methylmethanamine;prop-2-enamide;prop-2-enoic acid;hydrochloride
CID 174906754
(E)-4-(octanoylamino)pent-2-enediamide
CID 162387950
(E,2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopent-3-enoic acid
CID 144508954

Frequently Asked Questions

What is the IUPAC name of (E)-4-hydroxy-4-(methylamino)but-2-enamide?
The IUPAC name of (E)-4-hydroxy-4-(methylamino)but-2-enamide (CID 176557926) is (E)-4-hydroxy-4-(methylamino)but-2-enamide.
What is the SMILES notation for (E)-4-hydroxy-4-(methylamino)but-2-enamide?
The canonical SMILES for (E)-4-hydroxy-4-(methylamino)but-2-enamide is CNC(O)/C=C/C(N)=O.
What is the InChIKey of (E)-4-hydroxy-4-(methylamino)but-2-enamide?
The InChIKey is SPMIHGVTOOCSQS-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-5(9)3-2-4(6)8/h2-3,5,7,9H,1H3,(H2,6,8)/b3-2+.
What are the key properties of (E)-4-hydroxy-4-(methylamino)but-2-enamide?
(E)-4-hydroxy-4-(methylamino)but-2-enamide has a molecular weight of 130.15 g/mol, XLogP of -1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-hydroxy-4-(methylamino)but-2-enamide is sourced from PubChem (CID 176557926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).