2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid

C12H16N2O4 — CID 54969050

IUPAC2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O4/c1-18-7-6-14(8-11(15)16)10-5-3-2-4-9(10)12(13)17/h2-5H,6-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyCXOLKSMNQDBHAD-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.32
Rot. Bonds7

About 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid

2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid (PubChem CID 54969050) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
PubChem CID54969050
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid
SMILESCOCCN(CC(=O)O)c1ccccc1C(N)=O
InChIInChI=1S/C12H16N2O4/c1-18-7-6-14(8-11(15)16)10-5-3-2-4-9(10)12(13)17/h2-5H,6-8H2,1H3,(H2,13,17)(H,15,16)
InChIKeyCXOLKSMNQDBHAD-UHFFFAOYSA-N
XLogP0.32
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-amino-N-(2-methoxyethyl)anilino]acetic acid
CID 63118751
1-[2-[bis(2-methoxyethyl)amino]phenyl]propan-1-one
CID 112677336
2-[bis(2-methoxyethyl)amino]-5-chlorobenzamide
CID 139902291
2-[(3-carbamoyl-2,6-dimethyl-4-pyridinyl)-(2-methoxyethyl)amino]acetic acid
CID 81050489
1-[2-[2-methoxyethyl(methyl)amino]phenyl]ethanone
CID 61427259
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571
N-(2-carbamoylphenyl)-N-(2-methoxyethyl)-2,4-dimethylbenzamide
CID 170710846
3-amino-2-[2-methoxyethyl(3-methoxypropyl)amino]benzamide
CID 115934555
4-amino-2-[2-hydroxyethyl(2-methoxyethyl)amino]benzamide
CID 113467671
2-[2-[bis(carboxymethyl)amino]-N-(carboxymethyl)anilino]acetic acid;ethane
CID 90830010
2-[(2-amino-2-oxoethyl)-methylamino]benzamide
CID 68633336

Frequently Asked Questions

What is the IUPAC name of 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid?
The IUPAC name of 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid (CID 54969050) is 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid is COCCN(CC(=O)O)c1ccccc1C(N)=O.
What is the InChIKey of 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid?
The InChIKey is CXOLKSMNQDBHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-18-7-6-14(8-11(15)16)10-5-3-2-4-9(10)12(13)17/h2-5H,6-8H2,1H3,(H2,13,17)(H,15,16).
What are the key properties of 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid?
2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid has a molecular weight of 252.27 g/mol, XLogP of 0.32, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carbamoyl-N-(2-methoxyethyl)anilino]acetic acid is sourced from PubChem (CID 54969050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).