2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid

C12H14N2O5 — CID 55244982

IUPAC2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
SMILESCc1cc(C(N)=O)ccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H14N2O5/c1-7-4-8(12(13)19)2-3-9(7)14(5-10(15)16)6-11(17)18/h2-4H,5-6H2,1H3,(H2,13,19)(H,15,16)(H,17,18)
InChIKeyYPUMRLUKVSZTFA-UHFFFAOYSA-N
MW266.25 g/mol
LogP0.07
Rot. Bonds6

About 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid

2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid (PubChem CID 55244982) has the molecular formula C12H14N2O5 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid.

Molecular Properties

Compound Name2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
PubChem CID55244982
Molecular FormulaC12H14N2O5
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid
SMILESCc1cc(C(N)=O)ccc1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C12H14N2O5/c1-7-4-8(12(13)19)2-3-9(7)14(5-10(15)16)6-11(17)18/h2-4H,5-6H2,1H3,(H2,13,19)(H,15,16)(H,17,18)
InChIKeyYPUMRLUKVSZTFA-UHFFFAOYSA-N
XLogP0.07
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid?
The IUPAC name of 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid (CID 55244982) is 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid.
What is the SMILES notation for 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid?
The canonical SMILES for 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid is Cc1cc(C(N)=O)ccc1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid?
The InChIKey is YPUMRLUKVSZTFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5/c1-7-4-8(12(13)19)2-3-9(7)14(5-10(15)16)6-11(17)18/h2-4H,5-6H2,1H3,(H2,13,19)(H,15,16)(H,17,18).
What are the key properties of 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid?
2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid has a molecular weight of 266.25 g/mol, XLogP of 0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-carbamoyl-N-(carboxymethyl)-2-methylanilino]acetic acid is sourced from PubChem (CID 55244982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).