2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid

C13H16N2O5 — CID 63644818

IUPAC2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccccc1N(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H16N2O5/c1-9-5-3-4-6-10(9)14(2)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQETJDSREGVQLTN-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.02
Rot. Bonds5

About 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid

2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid (PubChem CID 63644818) has the molecular formula C13H16N2O5 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
PubChem CID63644818
Molecular FormulaC13H16N2O5
Molecular Weight280.28 g/mol
Exact Mass280.11
IUPAC Name2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid
SMILESCc1ccccc1N(C)C(=O)N(CC(=O)O)CC(=O)O
InChIInChI=1S/C13H16N2O5/c1-9-5-3-4-6-10(9)14(2)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyQETJDSREGVQLTN-UHFFFAOYSA-N
XLogP1.02
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-N-methyl-N-(2-methylphenyl)acetamide
CID 21343400
2-[(2-amino-2-oxoethyl)-[(2-fluorophenyl)-methylcarbamoyl]amino]acetic acid
CID 107438586
2-[ethyl-[ethyl-(2-methylphenyl)carbamoyl]amino]acetic acid
CID 61184616
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
7-(N,2-dimethylanilino)-7-oxoheptanoic acid
CID 59823939
N-methyl-N-(2-methylphenyl)carbamate
CID 21115000
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
2-(2-methyl-N-propylanilino)acetic acid
CID 83559835
5-(N,2-dimethylanilino)-3-methyl-5-oxopentanoic acid
CID 59823931
methyl-(2-methylphenyl)carbamic acid;pentanoic acid
CID 175069185
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
2-[[2-(N-ethyl-2-methylanilino)-2-oxoethyl]-methylamino]acetic acid
CID 43442470

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid (CID 63644818) is 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid is Cc1ccccc1N(C)C(=O)N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
The InChIKey is QETJDSREGVQLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5/c1-9-5-3-4-6-10(9)14(2)13(20)15(7-11(16)17)8-12(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid?
2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid has a molecular weight of 280.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-[methyl-(2-methylphenyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 63644818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).