(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

C14H24N4O3 — CID 56981865

IUPAC(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCCC=CC(NC(C)=O)C1(C(=O)O)CC[C@@H](N=C(N)N)C1
InChIInChI=1S/C14H24N4O3/c1-3-4-5-11(17-9(2)19)14(12(20)21)7-6-10(8-14)18-13(15)16/h4-5,10-11H,3,6-8H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11?,14?/m1/s1
InChIKeyPACYGPWIBWLZBA-CDWSIMAYSA-N
MW296.37 g/mol
LogP0.35
Rot. Bonds6

About (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid

(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (PubChem CID 56981865) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
PubChem CID56981865
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
SMILESCCC=CC(NC(C)=O)C1(C(=O)O)CC[C@@H](N=C(N)N)C1
InChIInChI=1S/C14H24N4O3/c1-3-4-5-11(17-9(2)19)14(12(20)21)7-6-10(8-14)18-13(15)16/h4-5,10-11H,3,6-8H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11?,14?/m1/s1
InChIKeyPACYGPWIBWLZBA-CDWSIMAYSA-N
XLogP0.35
TPSA130.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.35
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (3R)-1-(1-acetamidopent-2-enyl)-3-(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 (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The IUPAC name of (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid (CID 56981865) is (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is CCC=CC(NC(C)=O)C1(C(=O)O)CC[C@@H](N=C(N)N)C1.
What is the InChIKey of (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
The InChIKey is PACYGPWIBWLZBA-CDWSIMAYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-3-4-5-11(17-9(2)19)14(12(20)21)7-6-10(8-14)18-13(15)16/h4-5,10-11H,3,6-8H2,1-2H3,(H,17,19)(H,20,21)(H4,15,16,18)/t10-,11?,14?/m1/s1.
What are the key properties of (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid?
(3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 0.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-acetamidopent-2-enyl)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 56981865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).