3-hydroxy-N-methyl-2-oxopropanamide

C4H7NO3 — CID 88958947

IUPAC3-hydroxy-N-methyl-2-oxopropanamide
SMILESCNC(=O)C(=O)CO
InChIInChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h6H,2H2,1H3,(H,5,8)
InChIKeyLQEJISCEMHVDDA-UHFFFAOYSA-N
MW117.10 g/mol
LogP-1.71
Rot. Bonds2

About 3-hydroxy-N-methyl-2-oxopropanamide

3-hydroxy-N-methyl-2-oxopropanamide (PubChem CID 88958947) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 3-hydroxy-N-methyl-2-oxopropanamide.

Molecular Properties

Compound Name3-hydroxy-N-methyl-2-oxopropanamide
PubChem CID88958947
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name3-hydroxy-N-methyl-2-oxopropanamide
SMILESCNC(=O)C(=O)CO
InChIInChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h6H,2H2,1H3,(H,5,8)
InChIKeyLQEJISCEMHVDDA-UHFFFAOYSA-N
XLogP-1.71
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-1.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-methyl-2-oxobutanamide
CID 143884065
N,N'-di((113C)methyl)oxamide
CID 169438737
3-(hydroxymethyl)-4-(methylamino)-4-oxobut-2-enoic acid
CID 154089719
N-methyl-2-[4-[3-(methylamino)-3-oxoprop-1-en-2-yl]phenyl]prop-2-enamide
CID 70360767
N'-(1-hydroxypropan-2-yl)-N-methyloxamide
CID 130666774
(Z)-2-ethyl-N-methylpent-2-enamide
CID 177053955
2-(dimethylamino)-N-methyl-2-sulfanylideneacetamide
CID 55288321
(2R)-2,3-dihydroxy-N-methylpropanamide
CID 89249819
(2S)-3-hydroxy-N,2-dimethylpropanamide
CID 58246856
5-[[(Z)-3-amino-2-aminosulfanyl-4-hydroxybut-2-enoyl]amino]-N-methyl-2-oxohexanamide
CID 166455678
ethane;N'-methyloxamide
CID 176938398
potassium 3-hydroxy-2-oxopropanoate
CID 117064470

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-methyl-2-oxopropanamide?
The IUPAC name of 3-hydroxy-N-methyl-2-oxopropanamide (CID 88958947) is 3-hydroxy-N-methyl-2-oxopropanamide.
What is the SMILES notation for 3-hydroxy-N-methyl-2-oxopropanamide?
The canonical SMILES for 3-hydroxy-N-methyl-2-oxopropanamide is CNC(=O)C(=O)CO.
What is the InChIKey of 3-hydroxy-N-methyl-2-oxopropanamide?
The InChIKey is LQEJISCEMHVDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5-4(8)3(7)2-6/h6H,2H2,1H3,(H,5,8).
What are the key properties of 3-hydroxy-N-methyl-2-oxopropanamide?
3-hydroxy-N-methyl-2-oxopropanamide has a molecular weight of 117.10 g/mol, XLogP of -1.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-methyl-2-oxopropanamide is sourced from PubChem (CID 88958947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).