2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid

C16H17N5O4 — CID 149334447

IUPAC2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESNNc1cc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)ccc1N
InChIInChI=1S/C16H17N5O4/c17-12-6-3-10(7-13(12)21-18)16(25)20-11-4-1-9(2-5-11)15(24)19-8-14(22)23/h1-7,21H,8,17-18H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyYCYNKOPXOAXTEM-UHFFFAOYSA-N
MW343.34 g/mol
LogP0.62
Rot. Bonds6

About 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid

2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid (PubChem CID 149334447) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid
PubChem CID149334447
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Name2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid
SMILESNNc1cc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)ccc1N
InChIInChI=1S/C16H17N5O4/c17-12-6-3-10(7-13(12)21-18)16(25)20-11-4-1-9(2-5-11)15(24)19-8-14(22)23/h1-7,21H,8,17-18H2,(H,19,24)(H,20,25)(H,22,23)
InChIKeyYCYNKOPXOAXTEM-UHFFFAOYSA-N
XLogP0.62
TPSA159.57 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.34
LogP ≤ 50.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[4-[(3,4-diaminobenzoyl)amino]benzoyl]amino]acetic acid
CID 142911227
2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
2-[[4-[(3-nitrobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434704
2-[[4-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetic acid
CID 45435057
2-[[4-[(2-amino-4-methoxybenzoyl)amino]benzoyl]amino]acetic acid
CID 110452010
2-[[4-[(4,5-dibromo-1H-pyrrole-2-carbonyl)amino]benzoyl]amino]acetic acid
CID 91819622
4-amino-N-(3-chloro-4-methoxyphenyl)-3-hydrazinylbenzamide
CID 143165536
2-[[3-[(4-methylbenzoyl)amino]benzoyl]amino]acetic acid
CID 90870302
3,4-diamino-N-[4-(ethylcarbamoyl)phenyl]benzamide;formic acid
CID 142223686
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[4-[(4-methoxy-3-phenylbenzoyl)amino]benzoyl]amino]acetic acid
CID 75429308

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid (CID 149334447) is 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid is NNc1cc(C(=O)Nc2ccc(C(=O)NCC(=O)O)cc2)ccc1N.
What is the InChIKey of 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid?
The InChIKey is YCYNKOPXOAXTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c17-12-6-3-10(7-13(12)21-18)16(25)20-11-4-1-9(2-5-11)15(24)19-8-14(22)23/h1-7,21H,8,17-18H2,(H,19,24)(H,20,25)(H,22,23).
What are the key properties of 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid?
2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid has a molecular weight of 343.34 g/mol, XLogP of 0.62, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(4-amino-3-hydrazinylbenzoyl)amino]benzoyl]amino]acetic acid is sourced from PubChem (CID 149334447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).