(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide

C8H15BrN2O — CID 103795948

IUPAC(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide
SMILESC=C(Br)CNC(=O)[C@H](N)CCC
InChIInChI=1S/C8H15BrN2O/c1-3-4-7(10)8(12)11-5-6(2)9/h7H,2-5,10H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyFEKOMEQEYRVJDZ-SSDOTTSWSA-N
MW235.12 g/mol
LogP1.14
Rot. Bonds5

About (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide

(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide (PubChem CID 103795948) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide
PubChem CID103795948
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide
SMILESC=C(Br)CNC(=O)[C@H](N)CCC
InChIInChI=1S/C8H15BrN2O/c1-3-4-7(10)8(12)11-5-6(2)9/h7H,2-5,10H2,1H3,(H,11,12)/t7-/m1/s1
InChIKeyFEKOMEQEYRVJDZ-SSDOTTSWSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide 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 (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide?
The IUPAC name of (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide (CID 103795948) is (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide.
What is the SMILES notation for (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide?
The canonical SMILES for (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide is C=C(Br)CNC(=O)[C@H](N)CCC.
What is the InChIKey of (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide?
The InChIKey is FEKOMEQEYRVJDZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15BrN2O/c1-3-4-7(10)8(12)11-5-6(2)9/h7H,2-5,10H2,1H3,(H,11,12)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide?
(2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide has a molecular weight of 235.12 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(2-bromoprop-2-enyl)pentanamide is sourced from PubChem (CID 103795948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).