2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid

C17H17N3O5 — CID 110452010

IUPAC2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c(N)c1
InChIInChI=1S/C17H17N3O5/c1-25-12-6-7-13(14(18)8-12)17(24)20-11-4-2-10(3-5-11)16(23)19-9-15(21)22/h2-8H,9,18H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGFTMTTJPNDACLB-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.34
Rot. Bonds6

About 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 110452010) has the molecular formula C17H17N3O5 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID110452010
Molecular FormulaC17H17N3O5
Molecular Weight343.34 g/mol
Exact Mass343.12
IUPAC Name2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
SMILESCOc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c(N)c1
InChIInChI=1S/C17H17N3O5/c1-25-12-6-7-13(14(18)8-12)17(24)20-11-4-2-10(3-5-11)16(23)19-9-15(21)22/h2-8H,9,18H2,1H3,(H,19,23)(H,20,24)(H,21,22)
InChIKeyGFTMTTJPNDACLB-UHFFFAOYSA-N
XLogP1.34
TPSA130.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 82547001
2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-amino-N-(3-carbamoylphenyl)-4-methoxybenzamide
CID 115412996
N-(3-acetamidophenyl)-2-amino-4-methoxybenzamide
CID 82546305
2-amino-4-methoxy-N-pyrimidin-5-ylbenzamide
CID 107588666
4-[(2-amino-4-methoxybenzoyl)amino]butanoic acid
CID 80504243
2-amino-N-(3-chloro-4-fluorophenyl)-4-methoxybenzamide
CID 80504103
2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid
CID 149334447
2-amino-N-hydroxy-4-methoxybenzamide
CID 115413301
N-ethyl-4-[(4-methoxybenzoyl)amino]benzamide
CID 17234279
2-amino-N-(1-benzothiophen-5-yl)-4-methoxybenzamide
CID 115412638
2-hydroxy-N-[4-[(2-hydroxy-4-methoxybenzoyl)amino]phenyl]-4-methoxybenzamide
CID 23249025

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid (CID 110452010) is 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid is COc1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)c(N)c1.
What is the InChIKey of 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is GFTMTTJPNDACLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5/c1-25-12-6-7-13(14(18)8-12)17(24)20-11-4-2-10(3-5-11)16(23)19-9-15(21)22/h2-8H,9,18H2,1H3,(H,19,23)(H,20,24)(H,21,22).
What are the key properties of 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 343.34 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 110452010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).