2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid

C12H14N2O5 — CID 10349841

IUPAC2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10(13-9-4-2-1-3-5-9)6-14(7-11(16)17)8-12(18)19/h1-5H,6-8H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyFEYAAEGOJAWGRO-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.10
Rot. Bonds7

About 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid

2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid (PubChem CID 10349841) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
PubChem CID10349841
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)CC(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O5/c15-10(13-9-4-2-1-3-5-9)6-14(7-11(16)17)8-12(18)19/h1-5H,6-8H2,(H,13,15)(H,16,17)(H,18,19)
InChIKeyFEYAAEGOJAWGRO-UHFFFAOYSA-N
XLogP0.10
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid (CID 10349841) is 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid is O=C(O)CN(CC(=O)O)CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is FEYAAEGOJAWGRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c15-10(13-9-4-2-1-3-5-9)6-14(7-11(16)17)8-12(18)19/h1-5H,6-8H2,(H,13,15)(H,16,17)(H,18,19).
What are the key properties of 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid?
2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of 0.10, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-anilino-2-oxoethyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 10349841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).