2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

C12H16N2O3 — CID 43442375

IUPAC2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13(9-12(16)17)8-11(15)14(2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyVRIRBHGBMMZUBC-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.67
Rot. Bonds5

About 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid

2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (PubChem CID 43442375) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
PubChem CID43442375
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
SMILESCN(CC(=O)O)CC(=O)N(C)c1ccccc1
InChIInChI=1S/C12H16N2O3/c1-13(9-12(16)17)8-11(15)14(2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17)
InChIKeyVRIRBHGBMMZUBC-UHFFFAOYSA-N
XLogP0.67
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[tert-butyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 79269292
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 16566193
N-methyl-2-[methyl-(2-oxo-2-piperazin-1-ylethyl)amino]-N-phenylacetamide
CID 119915329
2-[cyclopentyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833811
2-[bis(2-chloroethyl)amino]-N-methyl-N-phenylacetamide
CID 15344
2-methyl-2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]propanoic acid
CID 62822694
3-hydroxy-N-methyl-N-phenylpropanamide
CID 82111467
2-[acetyl(cyclopropyl)amino]-N-methyl-N-phenylacetamide
CID 113158391
N-methyl-N-phenyl-2-pyrrol-1-ylacetamide
CID 110688597
2-[acetyl-[2-(dimethylamino)ethyl]amino]-N-methyl-N-phenylacetamide
CID 113160477
N-methyl-2-[methyl-[3-(2-methylphenoxy)propyl]amino]-N-phenylacetamide
CID 52679743
3-amino-N-methyl-N-phenyl-3-sulfanylidenepropanamide
CID 28942333

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid (CID 43442375) is 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is CN(CC(=O)O)CC(=O)N(C)c1ccccc1.
What is the InChIKey of 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
The InChIKey is VRIRBHGBMMZUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-13(9-12(16)17)8-11(15)14(2)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid?
2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid has a molecular weight of 236.27 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(N-methylanilino)-2-oxoethyl]amino]acetic acid is sourced from PubChem (CID 43442375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).