(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide

C13H25N3O2 — CID 91323391

IUPAC(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
SMILESCC(=O)NCCCC=CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H25N3O2/c1-10(2)9-12(14)13(18)16-8-6-4-5-7-15-11(3)17/h6,8,10,12H,4-5,7,9,14H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyPWEJHZLJWWKBHB-GFCCVEGCSA-N
MW255.36 g/mol
LogP0.91
Rot. Bonds8

About (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide

(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide (PubChem CID 91323391) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
PubChem CID91323391
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide
SMILESCC(=O)NCCCC=CNC(=O)[C@H](N)CC(C)C
InChIInChI=1S/C13H25N3O2/c1-10(2)9-12(14)13(18)16-8-6-4-5-7-15-11(3)17/h6,8,10,12H,4-5,7,9,14H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1
InChIKeyPWEJHZLJWWKBHB-GFCCVEGCSA-N
XLogP0.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide?
The IUPAC name of (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide (CID 91323391) is (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide.
What is the SMILES notation for (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide?
The canonical SMILES for (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide is CC(=O)NCCCC=CNC(=O)[C@H](N)CC(C)C.
What is the InChIKey of (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide?
The InChIKey is PWEJHZLJWWKBHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)9-12(14)13(18)16-8-6-4-5-7-15-11(3)17/h6,8,10,12H,4-5,7,9,14H2,1-3H3,(H,15,17)(H,16,18)/t12-/m1/s1.
What are the key properties of (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide?
(2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide has a molecular weight of 255.36 g/mol, XLogP of 0.91, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-acetamidopent-1-enyl)-2-amino-4-methylpentanamide is sourced from PubChem (CID 91323391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).