2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid

C13H15N3O5 — CID 43465277

IUPAC2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H15N3O5/c1-8(17)16-10-4-2-9(3-5-10)13(21)15-6-11(18)14-7-12(19)20/h2-5H,6-7H2,1H3,(H,14,18)(H,15,21)(H,16,17)(H,19,20)
InChIKeyLTDAAHAZOOFSEI-UHFFFAOYSA-N
MW293.28 g/mol
LogP-0.42
Rot. Bonds6

About 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 43465277) has the molecular formula C13H15N3O5 and a molecular weight of 293.28 g/mol. Its IUPAC name is 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
PubChem CID43465277
Molecular FormulaC13H15N3O5
Molecular Weight293.28 g/mol
Exact Mass293.10
IUPAC Name2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
SMILESCC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1
InChIInChI=1S/C13H15N3O5/c1-8(17)16-10-4-2-9(3-5-10)13(21)15-6-11(18)14-7-12(19)20/h2-5H,6-7H2,1H3,(H,14,18)(H,15,21)(H,16,17)(H,19,20)
InChIKeyLTDAAHAZOOFSEI-UHFFFAOYSA-N
XLogP-0.42
TPSA124.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(4-hydroxybenzoyl)amino]acetyl]amino]acetic acid
CID 3478136
2-[[2-[(4-propan-2-ylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387473
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
2-[[2-[(4-methylsulfanylbenzoyl)amino]acetyl]amino]acetic acid
CID 43387687
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
CID 119220498
2-[[4-(2-methylbutanoylamino)benzoyl]amino]acetic acid
CID 24694310
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
2-[[2-[[2-[[2-[[2-[[2-[(4-sulfamoylbenzoyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 10325079
(Z)-4-[4-(carboxymethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 54609782
4-(carboxymethylcarbamoyl)benzoic acid
CID 166957862
2-[[4-[(3-amino-2,2-dimethylpropanoyl)amino]benzoyl]amino]acetic acid
CID 115426496
2-[[4-(3-methylhexanoylamino)benzoyl]amino]acetic acid
CID 119220462

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid (CID 43465277) is 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid is CC(=O)Nc1ccc(C(=O)NCC(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is LTDAAHAZOOFSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O5/c1-8(17)16-10-4-2-9(3-5-10)13(21)15-6-11(18)14-7-12(19)20/h2-5H,6-7H2,1H3,(H,14,18)(H,15,21)(H,16,17)(H,19,20).
What are the key properties of 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 293.28 g/mol, XLogP of -0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).