dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine

C9H20Cl2N2O3 — CID 172740638

IUPACdichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine
SMILESCN(C)C(=O)CCC(=O)O.CNC.ClCCl
InChIInChI=1S/C6H11NO3.C2H7N.CH2Cl2/c1-7(2)5(8)3-4-6(9)10;1-3-2;2-1-3/h3-4H2,1-2H3,(H,9,10);3H,1-2H3;1H2
InChIKeyJAWWNCVQVOHGOB-UHFFFAOYSA-N
MW275.18 g/mol
LogP1.20
Rot. Bonds3

About dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine

dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine (PubChem CID 172740638) has the molecular formula C9H20Cl2N2O3 and a molecular weight of 275.18 g/mol. Its IUPAC name is dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine.

Molecular Properties

Compound Namedichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine
PubChem CID172740638
Molecular FormulaC9H20Cl2N2O3
Molecular Weight275.18 g/mol
Exact Mass274.09
IUPAC Namedichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine
SMILESCN(C)C(=O)CCC(=O)O.CNC.ClCCl
InChIInChI=1S/C6H11NO3.C2H7N.CH2Cl2/c1-7(2)5(8)3-4-6(9)10;1-3-2;2-1-3/h3-4H2,1-2H3,(H,9,10);3H,1-2H3;1H2
InChIKeyJAWWNCVQVOHGOB-UHFFFAOYSA-N
XLogP1.20
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.18
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[5-(dimethylamino)-5-oxopentanoyl]-methylamino]propanoic acid
CID 119233192
3-[3-(dimethylamino)-3-oxopropyl]sulfonylpropanoic acid
CID 60961463
chloromethyl 4-(dimethylamino)-4-oxobutanoate
CID 19735984
3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]propanoic acid
CID 43310948
4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]-4-oxobutanoic acid
CID 54916205
3-[2-carboxyethyl(methyl)amino]propanoic acid;methane
CID 90204033
N,N-dimethyl-4-(methylamino)butanamide;ethane
CID 163270647
N,N-dimethyl-3-(methylsulfanylamino)propanamide
CID 146520704
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]pentanoic acid
CID 62215247
2-chloroacetic acid;N,N-dimethylmethanamine
CID 87770829
N,N-dimethyl-3-(3,4,5-trimethylphenyl)propanamide;3-(3,4,5-trimethylphenyl)propanoic acid
CID 161469561
4-[cyclopropyl(methyl)amino]-4-oxobutanoic acid
CID 43264711

Frequently Asked Questions

What is the IUPAC name of dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine?
The IUPAC name of dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine (CID 172740638) is dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine.
What is the SMILES notation for dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine?
The canonical SMILES for dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine is CN(C)C(=O)CCC(=O)O.CNC.ClCCl.
What is the InChIKey of dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine?
The InChIKey is JAWWNCVQVOHGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3.C2H7N.CH2Cl2/c1-7(2)5(8)3-4-6(9)10;1-3-2;2-1-3/h3-4H2,1-2H3,(H,9,10);3H,1-2H3;1H2.
What are the key properties of dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine?
dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine has a molecular weight of 275.18 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dichloromethane;4-(dimethylamino)-4-oxobutanoic acid;N-methylmethanamine is sourced from PubChem (CID 172740638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).