3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

C17H32N4O3 — CID 500459

IUPAC3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CCC)C(NC(C)=O)C1CC(C(=O)O)CC1N=C(N)N
InChIInChI=1S/C17H32N4O3/c1-4-6-11(7-5-2)15(20-10(3)22)13-8-12(16(23)24)9-14(13)21-17(18)19/h11-15H,4-9H2,1-3H3,(H,20,22)(H,23,24)(H4,18,19,21)
InChIKeyVUROMZOEXLKRSQ-UHFFFAOYSA-N
MW340.47 g/mol
LogP1.46
Rot. Bonds9

About 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (PubChem CID 500459) has the molecular formula C17H32N4O3 and a molecular weight of 340.47 g/mol. Its IUPAC name is 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
PubChem CID500459
Molecular FormulaC17H32N4O3
Molecular Weight340.47 g/mol
Exact Mass340.25
IUPAC Name3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCCCC(CCC)C(NC(C)=O)C1CC(C(=O)O)CC1N=C(N)N
InChIInChI=1S/C17H32N4O3/c1-4-6-11(7-5-2)15(20-10(3)22)13-8-12(16(23)24)9-14(13)21-17(18)19/h11-15H,4-9H2,1-3H3,(H,20,22)(H,23,24)(H4,18,19,21)
InChIKeyVUROMZOEXLKRSQ-UHFFFAOYSA-N
XLogP1.46
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic 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 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (CID 500459) is 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is CCCC(CCC)C(NC(C)=O)C1CC(C(=O)O)CC1N=C(N)N.
What is the InChIKey of 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The InChIKey is VUROMZOEXLKRSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3/c1-4-6-11(7-5-2)15(20-10(3)22)13-8-12(16(23)24)9-14(13)21-17(18)19/h11-15H,4-9H2,1-3H3,(H,20,22)(H,23,24)(H4,18,19,21).
What are the key properties of 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid has a molecular weight of 340.47 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-acetamido-2-propylpentyl)-4-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 500459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).