(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid

C10H19N3O2 — CID 152761871

IUPAC(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid
SMILESC/C(=C/C[C@H](N)C(=O)O)C(C)/N=C(\C)N
InChIInChI=1S/C10H19N3O2/c1-6(7(2)13-8(3)11)4-5-9(12)10(14)15/h4,7,9H,5,12H2,1-3H3,(H2,11,13)(H,14,15)/b6-4-/t7?,9-/m0/s1
InChIKeyWRQLVOMSNZSMFJ-KRTZWNJSSA-N
MW213.28 g/mol
LogP0.50
Rot. Bonds5

About (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid

(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid (PubChem CID 152761871) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid.

Molecular Properties

Compound Name(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid
PubChem CID152761871
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid
SMILESC/C(=C/C[C@H](N)C(=O)O)C(C)/N=C(\C)N
InChIInChI=1S/C10H19N3O2/c1-6(7(2)13-8(3)11)4-5-9(12)10(14)15/h4,7,9H,5,12H2,1-3H3,(H2,11,13)(H,14,15)/b6-4-/t7?,9-/m0/s1
InChIKeyWRQLVOMSNZSMFJ-KRTZWNJSSA-N
XLogP0.50
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-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,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid?
The IUPAC name of (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid (CID 152761871) is (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid.
What is the SMILES notation for (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid?
The canonical SMILES for (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid is C/C(=C/C[C@H](N)C(=O)O)C(C)/N=C(\C)N.
What is the InChIKey of (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid?
The InChIKey is WRQLVOMSNZSMFJ-KRTZWNJSSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-6(7(2)13-8(3)11)4-5-9(12)10(14)15/h4,7,9H,5,12H2,1-3H3,(H2,11,13)(H,14,15)/b6-4-/t7?,9-/m0/s1.
What are the key properties of (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid?
(Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid has a molecular weight of 213.28 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-amino-6-(1-aminoethylideneamino)-5-methylhept-4-enoic acid is sourced from PubChem (CID 152761871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).