N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide

C6H12N2O3 — CID 144596599

IUPACN-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(O)C(O)NC
InChIInChI=1S/C6H12N2O3/c1-3-4(9)8-6(11)5(10)7-2/h3,5-7,10-11H,1H2,2H3,(H,8,9)
InChIKeyLIWLBLJSPLHQQA-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.86
Rot. Bonds4

About N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide

N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide (PubChem CID 144596599) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
PubChem CID144596599
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC NameN-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide
SMILESC=CC(=O)NC(O)C(O)NC
InChIInChI=1S/C6H12N2O3/c1-3-4(9)8-6(11)5(10)7-2/h3,5-7,10-11H,1H2,2H3,(H,8,9)
InChIKeyLIWLBLJSPLHQQA-UHFFFAOYSA-N
XLogP-1.86
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

N-[(2S)-1,2-dihydroxy-2-(prop-2-enoylamino)ethyl]prop-2-enamide
CID 129044406
N-(1,2-dihydroxybutyl)prop-2-enamide
CID 174879831
N-[(1S)-1-hydroxyethyl]prop-2-enamide
CID 59985905
sodium N-propan-2-ylprop-2-enamide
CID 19004870
N-[ethoxy(hydroxy)methyl]prop-2-enamide
CID 54426891
sodium;hydride;N-propan-2-ylprop-2-enamide
CID 173347226
N-[1-(dimethylamino)prop-2-enyl]prop-2-enamide
CID 87295528
(2R)-2-hydroxy-2-(prop-2-enoylamino)acetate
CID 6931091
methanol;bis(N-methylprop-2-enamide)
CID 175170531
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium
CID 19836216
[2-hydroxy-1-(prop-2-enoylamino)propyl]-trimethylazanium chloride
CID 19836215
N-(4-hydroxyhexan-3-yl)prop-2-enamide
CID 176975317

Frequently Asked Questions

What is the IUPAC name of N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide?
The IUPAC name of N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide (CID 144596599) is N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide.
What is the SMILES notation for N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide?
The canonical SMILES for N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide is C=CC(=O)NC(O)C(O)NC.
What is the InChIKey of N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide?
The InChIKey is LIWLBLJSPLHQQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-4(9)8-6(11)5(10)7-2/h3,5-7,10-11H,1H2,2H3,(H,8,9).
What are the key properties of N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide?
N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide has a molecular weight of 160.17 g/mol, XLogP of -1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1,2-dihydroxy-2-(methylamino)ethyl]prop-2-enamide is sourced from PubChem (CID 144596599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).