2-acetamidoacetamide;methylaminomethanol

C6H15N3O3 — CID 143571891

IUPAC2-acetamidoacetamide;methylaminomethanol
SMILESCC(=O)NCC(N)=O.CNCO
InChIInChI=1S/C4H8N2O2.C2H7NO/c1-3(7)6-2-4(5)8;1-3-2-4/h2H2,1H3,(H2,5,8)(H,6,7);3-4H,2H2,1H3
InChIKeyUOKSVPMAIXIPDP-UHFFFAOYSA-N
MW177.20 g/mol
LogP-2.24
Rot. Bonds3

About 2-acetamidoacetamide;methylaminomethanol

2-acetamidoacetamide;methylaminomethanol (PubChem CID 143571891) has the molecular formula C6H15N3O3 and a molecular weight of 177.20 g/mol. Its IUPAC name is 2-acetamidoacetamide;methylaminomethanol.

Molecular Properties

Compound Name2-acetamidoacetamide;methylaminomethanol
PubChem CID143571891
Molecular FormulaC6H15N3O3
Molecular Weight177.20 g/mol
Exact Mass177.11
IUPAC Name2-acetamidoacetamide;methylaminomethanol
SMILESCC(=O)NCC(N)=O.CNCO
InChIInChI=1S/C4H8N2O2.C2H7NO/c1-3(7)6-2-4(5)8;1-3-2-4/h2H2,1H3,(H2,5,8)(H,6,7);3-4H,2H2,1H3
InChIKeyUOKSVPMAIXIPDP-UHFFFAOYSA-N
XLogP-2.24
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 5-2.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-[[2-(methylamino)acetyl]amino]acetamide
CID 168928174
2-acetamidoacetamide;ethane;toluene
CID 145152417
acetamide;2-acetamidoacetic acid;acetic acid
CID 172851562
(2S)-2-[[2-[(2-acetamidoacetyl)amino]acetyl]amino]-N-[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]propanamide
CID 71358548
2-(methylamino)acetamide;2-methylprop-2-enoic acid
CID 22182173
2-[4-(methylamino)butan-2-ylamino]acetamide
CID 87765136
acetic acid;(2S)-2-amino-N-(2-amino-2-oxoethyl)propanamide
CID 88648065
bis(2-acetamidoacetic acid);copper;trihydrate
CID 57404078
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
2-acetamidoacetate;chromium(3+)
CID 161474806
(2S)-2-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 30111500
N-[2-hydrazinylidene-2-(2-methylhydrazinyl)ethyl]acetamide
CID 163692409

Frequently Asked Questions

What is the IUPAC name of 2-acetamidoacetamide;methylaminomethanol?
The IUPAC name of 2-acetamidoacetamide;methylaminomethanol (CID 143571891) is 2-acetamidoacetamide;methylaminomethanol.
What is the SMILES notation for 2-acetamidoacetamide;methylaminomethanol?
The canonical SMILES for 2-acetamidoacetamide;methylaminomethanol is CC(=O)NCC(N)=O.CNCO.
What is the InChIKey of 2-acetamidoacetamide;methylaminomethanol?
The InChIKey is UOKSVPMAIXIPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2.C2H7NO/c1-3(7)6-2-4(5)8;1-3-2-4/h2H2,1H3,(H2,5,8)(H,6,7);3-4H,2H2,1H3.
What are the key properties of 2-acetamidoacetamide;methylaminomethanol?
2-acetamidoacetamide;methylaminomethanol has a molecular weight of 177.20 g/mol, XLogP of -2.24, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamidoacetamide;methylaminomethanol is sourced from PubChem (CID 143571891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).