5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid

C13H15NO5 — CID 756962

IUPAC5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H15NO5/c15-11(2-1-3-12(16)17)14-10-6-4-9(5-7-10)8-13(18)19/h4-7H,1-3,8H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKCQGYPGOPDEMBG-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.51
Rot. Bonds7

About 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid

5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid (PubChem CID 756962) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
PubChem CID756962
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)Nc1ccc(CC(=O)O)cc1
InChIInChI=1S/C13H15NO5/c15-11(2-1-3-12(16)17)14-10-6-4-9(5-7-10)8-13(18)19/h4-7H,1-3,8H2,(H,14,15)(H,16,17)(H,18,19)
InChIKeyKCQGYPGOPDEMBG-UHFFFAOYSA-N
XLogP1.51
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

8-[4-(hydroxymethyl)anilino]-8-oxooctanoic acid
CID 57326777
2-[4-[3-(4-ethylphenyl)propanoylamino]phenyl]acetic acid
CID 45346474
2-[4-[3-(ethylamino)propanoylamino]phenyl]acetic acid
CID 62835723
8-(4-hydroxyanilino)-8-oxooctanoic acid
CID 59835382
6-oxo-6-(4-sulfanylanilino)hexanoic acid
CID 139939209
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
7-(4-fluoroanilino)-7-oxoheptanoic acid
CID 68559650
4-[4-(carboxymethyl)anilino]-4-oxobut-2-enoic acid
CID 53395773
5-(4-methylsulfonylanilino)-5-oxopentanoic acid
CID 43397158
5-[4-[(E)-2-carboxyethenyl]anilino]-5-oxopentanoic acid
CID 155177048
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302

Frequently Asked Questions

What is the IUPAC name of 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid?
The IUPAC name of 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid (CID 756962) is 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid is O=C(O)CCCC(=O)Nc1ccc(CC(=O)O)cc1.
What is the InChIKey of 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid?
The InChIKey is KCQGYPGOPDEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-11(2-1-3-12(16)17)14-10-6-4-9(5-7-10)8-13(18)19/h4-7H,1-3,8H2,(H,14,15)(H,16,17)(H,18,19).
What are the key properties of 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid?
5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.51, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(carboxymethyl)anilino]-5-oxopentanoic acid is sourced from PubChem (CID 756962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).