(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid

C15H19N5O4 — CID 10914578

IUPAC(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid
SMILESCC(=O)NCC(/C=C(\NC(=O)c1ccccc1)C(=O)O)N=C(N)N
InChIInChI=1S/C15H19N5O4/c1-9(21)18-8-11(19-15(16)17)7-12(14(23)24)20-13(22)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/b12-7-
InChIKeyILUHYTOEQNESLE-GHXNOFRVSA-N
MW333.35 g/mol
LogP-0.84
Rot. Bonds7

About (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid

(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid (PubChem CID 10914578) has the molecular formula C15H19N5O4 and a molecular weight of 333.35 g/mol. Its IUPAC name is (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid
PubChem CID10914578
Molecular FormulaC15H19N5O4
Molecular Weight333.35 g/mol
Exact Mass333.14
IUPAC Name(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid
SMILESCC(=O)NCC(/C=C(\NC(=O)c1ccccc1)C(=O)O)N=C(N)N
InChIInChI=1S/C15H19N5O4/c1-9(21)18-8-11(19-15(16)17)7-12(14(23)24)20-13(22)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/b12-7-
InChIKeyILUHYTOEQNESLE-GHXNOFRVSA-N
XLogP-0.84
TPSA159.90 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 5-0.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid?
The IUPAC name of (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid (CID 10914578) is (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid.
What is the SMILES notation for (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid?
The canonical SMILES for (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid is CC(=O)NCC(/C=C(\NC(=O)c1ccccc1)C(=O)O)N=C(N)N.
What is the InChIKey of (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid?
The InChIKey is ILUHYTOEQNESLE-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H19N5O4/c1-9(21)18-8-11(19-15(16)17)7-12(14(23)24)20-13(22)10-5-3-2-4-6-10/h2-7,11H,8H2,1H3,(H,18,21)(H,20,22)(H,23,24)(H4,16,17,19)/b12-7-.
What are the key properties of (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid?
(Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid has a molecular weight of 333.35 g/mol, XLogP of -0.84, 7 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-acetamido-2-benzamido-4-(diaminomethylideneamino)pent-2-enoic acid is sourced from PubChem (CID 10914578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).